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newness

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[交流] 【求助】wien2k_09编译问题

怎么编译都无法通过，ifort,mkl,lapack,blas 都有，也设置的路径。兄弟们救救额

WARNING: no executable found in SRC_lapw0. Check compile.msg in this directory
WARNING: no executable found in SRC_lapw1. Check compile.msg in this directory
WARNING: no executable found in SRC_lapw2. Check compile.msg in this directory
WARNING: no executable found in SRC_lapw3. Check compile.msg in this directory
WARNING: no executable found in SRC_lapw5. Check compile.msg in this directory
WARNING: no executable found in SRC_lapw7. Check compile.msg in this directory
WARNING: no executable found in SRC_lapwdm. Check compile.msg in this directory
WARNING: no executable found in SRC_lapwso. Check compile.msg in this directory
WARNING: no executable found in SRC_lcore. Check compile.msg in this directory
WARNING: no executable found in SRC_lorentz. Check compile.msg in this directory
WARNING: no executable found in SRC_lstart. Check compile.msg in this directory
  SRC_mini/mini
WARNING: no executable found in SRC_mixer. Check compile.msg in this directory
  SRC_nn/nn
WARNING: no executable found in SRC_optic. Check compile.msg in this directory
  SRC_optimize/optimize
WARNING: no executable found in SRC_orb. Check compile.msg in this directory
  SRC_pairhess/pairhess
WARNING: no executable found in SRC_qtl. Check compile.msg in this directory
  SRC_reformat/reformat
  SRC_sgroup/sgroup
WARNING: no executable found in SRC_spacegroup. Check compile.msg in this directory
  SRC_spaghetti/spaghetti
WARNING: no executable found in SRC_sumpara. Check compile.msg in this directory
  SRC_supercell/supercell
  SRC_symmetry/symmetry
  SRC_symmetso/symmetso
WARNING: no executable found in SRC_telnes2. Check compile.msg in this directory
  SRC_tetra/tetra
WARNING: no executable found in SRC_txspec. Check compile.msg in this directory
  SRC_w2web/w2web
cp: `SRC_w2web/w2web' and `/home/wd/WIEN2k/w2web' are the same file
  SRC_structeditor/SRC_ncmsymmetry/ncmsymmetry
  SRC_structeditor/SRC_readwrite/readwrite
  SRC_structeditor/SRC_struct2mol/struct2mol
WARNING: no executable found in SRC_structeditor/SRC_structgen. Check compile.msg in this directory

done.

Compile time errors (if any) were:
SRC_aim/compile.msg:make[1]: *** [aim] Error 1
SRC_aim/compile.msg:make: *** [real] Error 2
SRC_aim/compile.msg:make[1]: *** [aimc] Error 1
SRC_aim/compile.msg:make: *** [complex] Error 2
SRC_balsac-utils/compile.msg:make: *** [../outnn2plt] Error 1
SRC_broadening/compile.msg:make: *** [broadening] Error 1
SRC_cif2struct/compile.msg:make: *** [cif2struct] Error 1
SRC_dstart/compile.msg:make: *** [dstart] Error 1
SRC_lapw0/compile.msg:make[1]: *** [lapw0] Error 1
SRC_lapw0/compile.msg:make: *** [seq] Error 2
SRC_lapw1/compile.msg:make[1]: *** [lapw1] Error 1
SRC_lapw1/compile.msg:make: *** [real] Error 2
SRC_lapw1/compile.msg:make[1]: *** [lapw1c] Error 1
SRC_lapw1/compile.msg:make: *** [complex] Error 2
SRC_lapw2/compile.msg:make[1]: *** [lapw2] Error 1
SRC_lapw2/compile.msg:make: *** [real] Error 2
SRC_lapw2/compile.msg:make[1]: *** [lapw2c] Error 1
SRC_lapw2/compile.msg:make: *** [complex] Error 2
SRC_lapw3/compile.msg:make[1]: *** [lapw3] Error 1
SRC_lapw3/compile.msg:make: *** [real] Error 2
SRC_lapw3/compile.msg:make[1]: *** [lapw3c] Error 1
SRC_lapw3/compile.msg:make: *** [complex] Error 2
SRC_lapw5/compile.msg:make[1]: *** [lapw5] Error 1
SRC_lapw5/compile.msg:make: *** [real] Error 2
SRC_lapw5/compile.msg:make[1]: *** [lapw5c] Error 1
SRC_lapw5/compile.msg:make: *** [complex] Error 2
SRC_lapw7/compile.msg:make[1]: *** [lapw7] Error 1
SRC_lapw7/compile.msg:make: *** [real] Error 2
SRC_lapw7/compile.msg:make[1]: *** [lapw7c] Error 1
SRC_lapw7/compile.msg:make: *** [complex] Error 2
SRC_lapwdm/compile.msg:make[1]: *** [lapwdm] Error 1
SRC_lapwdm/compile.msg:make: *** [real] Error 2
SRC_lapwdm/compile.msg:make[1]: *** [lapwdmc] Error 1
SRC_lapwdm/compile.msg:make: *** [complex] Error 2
SRC_lapwso/compile.msg:make: *** [lapwso] Error 1
SRC_lcore/compile.msg:make: *** [lcore] Error 1
SRC_lorentz/compile.msg:make: *** [lorentz] Error 1
SRC_lstart/compile.msg:make: *** [lstart] Error 1
SRC_mixer/compile.msg:make: *** [mixer] Error 1
SRC_optic/compile.msg:make[1]: *** [optic] Error 1
SRC_optic/compile.msg:make: *** [real] Error 2
SRC_optic/compile.msg:make[1]: *** [opticc] Error 1
SRC_optic/compile.msg:make: *** [complex] Error 2
SRC_orb/compile.msg:make: *** [orb] Error 1
SRC_qtl/compile.msg:make: *** [qtl] Error 1
SRC_spacegroup/compile.msg:make: *** [spacegroup] Error 1
SRC_sumpara/compile.msg:make: *** [sumpara] Error 1
SRC_telnes2/compile.msg:make: *** [telnes2] Error 1
SRC_trig/compile.msg:make: *** [../rhomb_in5] Error 1
SRC_txspec/compile.msg:make: *** [txspec] Error 1
SRC_structeditor/SRC_structgen/compile.msg:make: *** [structgen] Error 1

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1楼2009-05-05 15:11:08

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wuli8

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zxzj05(金币+1,VIP+0):3Q! ^_^ 期待你的更多精彩回答！ 5-5 21:16

吧这两个文件贴出来
可能是你的参数选择的问题
SRC_aim/compile.msg
SRC_aim/compile.msg

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2楼2009-05-05 15:17:45

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SRC_aim/compile.msg
好长。。。

rm -f *.o _tmp_.* *.P .real .complex *~ *.mod
if [ -f .complex ]; then \
make clean; \
fi
touch .real
make TYPE='REAL' TYPE_COMMENT='!_REAL' ./aim
make[1]: Entering directory `/home/wd/WIEN2k/SRC_aim'
moduls.frc: REAL version extracted
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c moduls_tmp.f
mv moduls_tmp.o moduls.o
rm moduls_tmp.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c charge.f
charge.f(62) : (col. 6) remark: LOOP WAS VECTORIZED.
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c gbass.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c gener.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c aim.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c main1.f
main1.f(138) : (col. 16) remark: LOOP WAS VECTORIZED.
outin.frc: REAL version extracted
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c outin_tmp.f
mv outin_tmp.o outin.o
rm outin_tmp.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c radial.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c reduc.f
reduc.f(34) : (col. 10) remark: PARTIAL LOOP WAS VECTORIZED.
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c rsur.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c rotat.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c rotate.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c rotato.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c rotdef1.f
sternb.frc: REAL version extracted
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c sternb_tmp.f
sternb_tmp.f(59) : (col. 9) remark: LOOP WAS VECTORIZED.
sternb_tmp.f(63) : (col. 6) remark: LOOP WAS VECTORIZED.
sternb_tmp.f(98) : (col. 6) remark: LOOP WAS VECTORIZED.
sternb_tmp.f(105) : (col. 6) remark: LOOP WAS VECTORIZED.
mv sternb_tmp.o sternb.o
rm sternb_tmp.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c sum.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c vnorm.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c ylm.f
ylm.f(177) : (col. 8) remark: LOOP WAS VECTORIZED.
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c dtylm.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c sumd.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c grhosphe.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c dradial.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c gen_change.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c rotat_back.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c rotate_back.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c gen_brav.f
interst.frc: REAL version extracted
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c interst_tmp.f
interst_tmp.f(151) : (col. 13) remark: LOOP WAS VECTORIZED.
interst_tmp.f(123) : (col. 13) remark: LOOP WAS VECTORIZED.
interst_tmp.f(188) : (col. 10) remark: LOOP WAS VECTORIZED.
mv interst_tmp.o interst.o
rm interst_tmp.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c sphere.f
sphere.f(73) : (col. 16) remark: LOOP WAS VECTORIZED.
sphere.f(78) : (col. 6) remark: LOOP WAS VECTORIZED.
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c init.f
init.f(255) : (col. 8) remark: LOOP WAS VECTORIZED.
init.f(269) : (col. 8) remark: LOOP WAS VECTORIZED.
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c onestep.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c rsurf.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c gauleg.f
gauleg.f(27) : (col. 6) remark: LOOP WAS VECTORIZED.
gauleg.f(12) : (col. 13) remark: LOOP WAS VECTORIZED.
gauleg.f(49) : (col. 8) remark: LOOP WAS VECTORIZED.
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c critic.f
critic.f(88) : (col. 11) remark: LOOP WAS VECTORIZED.
critic.f(120) : (col. 10) remark: PARTIAL LOOP WAS VECTORIZED.
critic.f(134) : (col. 12) remark: PARTIAL LOOP WAS VECTORIZED.
critic.f(152) : (col. 14) remark: PARTIAL LOOP WAS VECTORIZED.
critic.f(540) : (col. 10) remark: LOOP WAS VECTORIZED.
critic.f(648) : (col. 6) remark: LOOP WAS VECTORIZED.
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c surf.f
surf.f(91) : (col. 12) remark: LOOP WAS VECTORIZED.
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c integrho.f
integrho.f(280) : (col. 8) remark: PARTIAL LOOP WAS VECTORIZED.
integrho.f(280) : (col. 8) remark: PARTIAL LOOP WAS VECTORIZED.
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c follow.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c interp.f
cc -c cputim.c
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c jacobi.f
jacobi.f(23) : (col. 6) remark: PARTIAL LOOP WAS VECTORIZED.
jacobi.f(66) : (col. 14) remark: LOOP WAS VECTORIZED.
jacobi.f(84) : (col. 14) remark: LOOP WAS VECTORIZED.
jacobi.f(94) : (col. 8) remark: LOOP WAS VECTORIZED.
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c ludcmp.f
ludcmp.f(76) : (col. 10) remark: LOOP WAS VECTORIZED.
ludcmp.f(145) : (col. 6) remark: LOOP WAS VECTORIZED.
ludcmp.f(210) : (col. 10) remark: LOOP WAS VECTORIZED.

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3楼2009-05-05 17:20:56

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newness

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ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c spline.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c doit.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c dtdtylm.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c sumdd.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c hrhosphe.f
hrhosphe.f(143) : (col. 12) remark: PARTIAL LOOP WAS VECTORIZED.
hrhosphe.f(143) : (col. 12) remark: PARTIAL LOOP WAS VECTORIZED.
hrhosphe.f(143) : (col. 12) remark: PARTIAL LOOP WAS VECTORIZED.
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c matprod.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c readcs.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c dipole.f
dipole.f(153) : (col. 10) remark: LOOP WAS VECTORIZED.
dipole.f(168) : (col. 12) remark: LOOP WAS VECTORIZED.
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c rho.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c cossin.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c intlib.f
intlib.f(344) : (col. 2) remark: LOOP WAS VECTORIZED.
intlib.f(345) : (col. 2) remark: LOOP WAS VECTORIZED.
intlib.f(346) : (col. 2) remark: LOOP WAS VECTORIZED.
intlib.f(347) : (col. 2) remark: LOOP WAS VECTORIZED.
intlib.f(348) : (col. 2) remark: LOOP WAS VECTORIZED.
intlib.f(352) : (col. 2) remark: BLOCK WAS VECTORIZED.
intlib.f(352) : (col. 2) remark: LOOP WAS VECTORIZED.
intlib.f(468) : (col. 2) remark: LOOP WAS VECTORIZED.
intlib.f(546) : (col. 2) remark: PARTIAL LOOP WAS VECTORIZED.
intlib.f(546) : (col. 2) remark: PARTIAL LOOP WAS VECTORIZED.
intlib.f(1052) : (col. 4) remark: LOOP WAS VECTORIZED.
intlib.f(1611) : (col. 7) remark: LOOP WAS VECTORIZED.
intlib.f(3804) : (col. 4) remark: LOOP WAS VECTORIZED.
intlib.f(1734) : (col. 7) remark: LOOP WAS VECTORIZED.
intlib.f(1993) : (col. 6) remark: LOOP WAS VECTORIZED.
intlib.f(2580) : (col. 2) remark: LOOP WAS VECTORIZED.
intlib.f(2879) : (col. 2) remark: LOOP WAS VECTORIZED.
intlib.f(3907) : (col. 2) remark: LOOP WAS VECTORIZED.
intlib.f(3908) : (col. 2) remark: LOOP WAS VECTORIZED.
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c davint.f
cc -c d1mach.c
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c sortag.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c follown.f
follown.f(145) : (col. 14) remark: LOOP WAS VECTORIZED.
follown.f(145) : (col. 14) remark: LOOP WAS VECTORIZED.
follown.f(145) : (col. 14) remark: LOOP WAS VECTORIZED.
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c SplineFit.f
SplineFit.f(199) : (col. 14) remark: LOOP WAS VECTORIZED.
SplineFit.f(199) : (col. 14) remark: LOOP WAS VECTORIZED.
SplineFit.f(200) : (col. 14) remark: LOOP WAS VECTORIZED.
SplineFit.f(200) : (col. 14) remark: LOOP WAS VECTORIZED.
SplineFit.f(1047) : (col. 12) remark: LOOP WAS VECTORIZED.
SplineFit.f(1050) : (col. 14) remark: LOOP WAS VECTORIZED.
SplineFit.f(524) : (col. 9) remark: LOOP WAS VECTORIZED.
SplineFit.f(570) : (col. 9) remark: LOOP WAS VECTORIZED.
SplineFit.f(573) : (col. 11) remark: LOOP WAS VECTORIZED.
SplineFit.f(763) : (col. 11) remark: LOOP WAS VECTORIZED.
SplineFit.f(778) : (col. 11) remark: LOOP WAS VECTORIZED.
SplineFit.f(655) : (col. 9) remark: LOOP WAS VECTORIZED.
SplineFit.f(667) : (col. 9) remark: LOOP WAS VECTORIZED.
SplineFit.f(1156) : (col. 9) remark: LOOP WAS VECTORIZED.
SplineFit.f(1164) : (col. 11) remark: LOOP WAS VECTORIZED.
SplineFit.f(842) : (col. 11) remark: LOOP WAS VECTORIZED.
SplineFit.f(3381) : (col. 9) remark: PARTIAL LOOP WAS VECTORIZED.
SplineFit.f(2865) : (col. 7) remark: LOOP WAS VECTORIZED.
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c CheckCSpline.
f
CheckCSpline.f(162) : (col. 16) remark: LOOP WAS VECTORIZED.
CheckCSpline.f(173) : (col. 16) remark: LOOP WAS VECTORIZED.
ifort -o ./aim moduls.o charge.o  gbass.o  gener.o  aim.o main1.o  outin.o  radi
al.o  reduc.o  rsur.o rotat.o  rotate.o  rotato.o  rotdef1.o sternb.o sum.o  vno
rm.o  ylm.o  dtylm.o  sumd.o  grhosphe.o dradial.o  gen_change.o  rotat_back.o
rotate_back.o gen_brav.o  interst.o  sphere.o  init.o  onestep.o rsurf.o  gauleg
.o  critic.o  surf.o integrho.o follow.o interp.o cputim.o jacobi.o ludcmp.o spl
ine.o doit.o dtdtylm.o sumdd.o hrhosphe.o matprod.o readcs.o dipole.o rho.o coss
in.o  intlib.o davint.o d1mach.o sortag.o follown.o SplineFit.o CheckCSpline.o
-L/opt/intel_fc_80/lib -L/opt/intel/mkl701cluster/lib/32 -L/usr/lib -L/opt/mpic
h/intel/lib -L/home/wd/WIEN2k/SRC_lib -lguide -lpthread -L /usr/lib/liblapack.a
-L../SRC_lib/liblapack_lapw.a -L../SRC_lib/libblas_lapw.a -lmkl_lapack -lmkl_ia3
2 -llapack_lapw -lblas_lapw -llapack_lapw -lblas_lapw -lguide -lpthread
init.o(.text+0x20a2): In function `init_':
: undefined reference to `vmldExp2'
dipole.o(.text+0x1487): In function `dipole_':
: undefined reference to `vmldSin2'
dipole.o(.text+0x14a7): In function `dipole_':
: undefined reference to `vmldCos2'
dipole.o(.text+0x1514): In function `dipole_':
: undefined reference to `vmldCos2'
dipole.o(.text+0x154a): In function `dipole_':
: undefined reference to `vmldSin2'
dipole.o(.text+0x19ce): In function `dipole_':
: undefined reference to `vmldSin2'
dipole.o(.text+0x19ee): In function `dipole_':
: undefined reference to `vmldCos2'
dipole.o(.text+0x1a5b): In function `dipole_':
: undefined reference to `vmldCos2'
dipole.o(.text+0x1a91): In function `dipole_':
: undefined reference to `vmldSin2'
make[1]: *** [aim] Error 1
make[1]: Leaving directory `/home/wd/WIEN2k/SRC_aim'
make: *** [real] Error 2
if [ -f .real ]; then \
make clean; \
fi
make[1]: Entering directory `/home/wd/WIEN2k/SRC_aim'
rm -f *.o _tmp_.* *.P .real .complex *~ *.mod
make[1]: Leaving directory `/home/wd/WIEN2k/SRC_aim'
touch .complex
make TYPE='COMPLEX' TYPE_COMMENT='!_COMPLEX' ./aimc
make[1]: Entering directory `/home/wd/WIEN2k/SRC_aim'
moduls.frc: COMPLEX version extracted
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c moduls_tmp.f
mv moduls_tmp.o moduls.o
rm moduls_tmp.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c charge.f
charge.f(62) : (col. 6) remark: LOOP WAS VECTORIZED.
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c gbass.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c gener.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c aim.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c main1.f
main1.f(138) : (col. 16) remark: LOOP WAS VECTORIZED.
outin.frc: COMPLEX version extracted
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c outin_tmp.f
mv outin_tmp.o outin.o
rm outin_tmp.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c radial.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c reduc.f

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reduc.f(34) : (col. 10) remark: PARTIAL LOOP WAS VECTORIZED.
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c rsur.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c rotat.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c rotate.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c rotato.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c rotdef1.f
sternb.frc: COMPLEX version extracted
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c sternb_tmp.f
sternb_tmp.f(63) : (col. 6) remark: LOOP WAS VECTORIZED.
sternb_tmp.f(98) : (col. 6) remark: LOOP WAS VECTORIZED.
mv sternb_tmp.o sternb.o
rm sternb_tmp.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c sum.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c vnorm.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c ylm.f
ylm.f(177) : (col. 8) remark: LOOP WAS VECTORIZED.
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c dtylm.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c sumd.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c grhosphe.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c dradial.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c gen_change.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c rotat_back.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c rotate_back.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c gen_brav.f
interst.frc: COMPLEX version extracted
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c interst_tmp.f
interst_tmp.f(151) : (col. 13) remark: LOOP WAS VECTORIZED.
interst_tmp.f(123) : (col. 13) remark: LOOP WAS VECTORIZED.
interst_tmp.f(188) : (col. 10) remark: LOOP WAS VECTORIZED.
mv interst_tmp.o interst.o
rm interst_tmp.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c sphere.f
sphere.f(73) : (col. 16) remark: LOOP WAS VECTORIZED.
sphere.f(78) : (col. 6) remark: LOOP WAS VECTORIZED.
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c init.f
init.f(255) : (col. 8) remark: LOOP WAS VECTORIZED.
init.f(269) : (col. 8) remark: LOOP WAS VECTORIZED.
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c onestep.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c rsurf.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c gauleg.f
gauleg.f(27) : (col. 6) remark: LOOP WAS VECTORIZED.
gauleg.f(12) : (col. 13) remark: LOOP WAS VECTORIZED.
gauleg.f(49) : (col. 8) remark: LOOP WAS VECTORIZED.
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c critic.f
critic.f(88) : (col. 11) remark: LOOP WAS VECTORIZED.
critic.f(120) : (col. 10) remark: PARTIAL LOOP WAS VECTORIZED.
critic.f(134) : (col. 12) remark: PARTIAL LOOP WAS VECTORIZED.
critic.f(152) : (col. 14) remark: PARTIAL LOOP WAS VECTORIZED.
critic.f(540) : (col. 10) remark: LOOP WAS VECTORIZED.
critic.f(648) : (col. 6) remark: LOOP WAS VECTORIZED.
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c surf.f
surf.f(91) : (col. 12) remark: LOOP WAS VECTORIZED.
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c integrho.f
integrho.f(280) : (col. 8) remark: PARTIAL LOOP WAS VECTORIZED.
integrho.f(280) : (col. 8) remark: PARTIAL LOOP WAS VECTORIZED.
ifort  -Fhrhosphe.f(143) : (col. 12) remark: PARTIAL LOOP WAS VECTORIZED.
hrhosphe.f(143) : (col. 12) remark: PARTIAL LOOP WAS VECTORIZED.
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c matprod.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c readcs.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c dipole.f
dipole.f(153) : (col. 10) remark: LOOP WAS VECTORIZED.
dipole.f(168) : (col. 12) remark: LOOP WAS VECTORIZED.
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c rho.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c cossin.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c intlib.f
intlib.f(344) : (col. 2) remark: LOOP WAS VECTORIZED.
intlib.f(345) : (col. 2) remark: LOOP WAS VECTORIZED.
intlib.f(346) : (col. 2) remark: LOOP WAS VECTORIZED.
intlib.f(347) : (col. 2) remark: LOOP WAS VECTORIZED.
intlib.f(348) : (col. 2) remark: LOOP WAS VECTORIZED.
intlib.f(352) : (col. 2) remark: BLOCK WAS VECTORIZED.
intlib.f(352) : (col. 2) remark: LOOP WAS VECTORIZED.
intlib.f(468) : (col. 2) remark: LOOP WAS VECTORIZED.
intlib.f(546) : (col. 2) remark: PARTIAL LOOP WAS VECTORIZED.
intlib.f(546) : (col. 2) remark: PARTIAL LOOP WAS VECTORIZED.
intlib.f(1052) : (col. 4) remark: LOOP WAS VECTORIZED.
intlib.f(1611) : (col. 7) remark: LOOP WAS VECTORIZED.
intlib.f(3804) : (col. 4) remark: LOOP WAS VECTORIZED.
intlib.f(1734) : (col. 7) remark: LOOP WAS VECTORIZED.
intlib.f(1993) : (col. 6) remark: LOOP WAS VECTORIZED.
intlib.f(2580) : (col. 2) remark: LOOP WAS VECTORIZED.
intlib.f(2879) : (col. 2) remark: LOOP WAS VECTORIZED.
intlib.f(3907) : (col. 2) remark: LOOP WAS VECTORIZED.
intlib.f(3908) : (col. 2) remark: LOOP WAS VECTORIZED.
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c davint.f
cc -c d1mach.c
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c sortag.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c follown.f
follown.f(145) : (col. 14) remark: LOOP WAS VECTORIZED.
follown.f(145) : (col. 14) remark: LOOP WAS VECTORIZED.
follown.f(145) : (col. 14) remark: LOOP WAS VECTORIZED.
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c SplineFit.f
SplineFit.f(199) : (col. 14) remark: LOOP WAS VECTORIZED.
SplineFit.f(199) : (col. 14) remark: LOOP WAS VECTORIZED.
SplineFit.f(200) : (col. 14) remark: LOOP WAS VECTORIZED.
SplineFit.f(200) : (col. 14) remark: LOOP WAS VECTORIZED.
SplineFit.f(1047) : (col. 12) remark: LOOP WAS VECTORIZED.
SplineFit.f(1050) : (col. 14) remark: LOOP WAS VECTORIZED.
SplineFit.f(524) : (col. 9) remark: LOOP WAS VECTORIZED.
SplineFit.f(570) : (col. 9) remark: LOOP WAS VECTORIZED.
SplineFit.f(573) : (col. 11) remark: LOOP WAS VECTORIZED.
SplineFit.f(763) : (col. 11) remark: LOOP WAS VECTORIZED.
SplineFit.f(778) : (col. 11) remark: LOOP WAS VECTORIZED.
SplineFit.f(655) : (col. 9) remark: LOOP WAS VECTORIZED.
SplineFit.f(667) : (col. 9) remark: LOOP WAS VECTORIZED.
SplineFit.f(1156) : (col. 9) remark: LOOP WAS VECTORIZED.
SplineFit.f(1164) : (col. 11) remark: LOOP WAS VECTORIZED.
SplineFit.f(842) : (col. 11) remark: LOOP WAS VECTORIZED.
SplineFit.f(3381) : (col. 9) remark: PARTIAL LOOP WAS VECTORIZED.
SplineFit.f(2865) : (col. 7) remark: LOOP WAS VECTORIZED.
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c CheckCSpline.
f
CheckCSpline.f(162) : (col. 16) remark: LOOP WAS VECTORIZED.
CheckCSpline.f(173) : (col. 16) remark: LOOP WAS VECTORIZED.
ifort -o ./aimc moduls.o charge.o  gbass.o  gener.o  aim.o main1.o  outin.o  rad
ial.o  reduc.o  rsur.o rotat.o  rotate.o  rotato.o  rotdef1.o sternb.o sum.o  vn
orm.o  ylm.o  dtylm.o  sumd.o  grhosphe.o dradial.o  gen_change.o  rotat_back.o
rotate_back.o gen_brav.o  interst.o  sphere.o  init.o  onestep.o rsurf.o  gaule
g.o  critic.o  surf.o integrho.o follow.o interp.o cputim.o jacobi.o ludcmp.o sp
line.o doit.o dtdtylm.o sumdd.o hrhosphe.o matprod.o readcs.o dipole.o rho.o cos
sin.o  intlib.o davint.o d1mach.o sortag.o follown.o SplineFit.o CheckCSpline.o
-L/opt/intel_fc_80/lib -L/opt/intel/mkl701cluster/lib/32 -L/usr/lib -L/opt/mpic
h/intel/lib -L/home/wd/WIEN2k/SRC_lib -lguide -lpthread -L /usr/lib/liblapack.a
-L../SRC_lib/liblapack_lapw.a -L../SRC_lib/libblas_lapw.a -lmkl_lapack -lmkl_ia3
2 -llapack_lapw -lblas_lapw -llapack_lapw -lblas_lapw -lguide -lpthread
init.o(.text+0x20a2): In function `init_':
: undefined reference to `vmldExp2'
dipole.o(.text+0x1487): In function `dipole_':
: undefined reference to `vmldSin2'
dipole.o(.text+0x14a7): In function `dipole_':
: undefined reference to `vmldCos2'
dipole.o(.text+0x1514): In function `dipole_':
: undefined reference to `vmldCos2'
dipole.o(.text+0x154a): In function `dipole_':
: undefined reference to `vmldSin2'
dipole.o(.text+0x19ce): In function `dipole_':
: undefined reference to `vmldSin2'
dipole.o(.text+0x19ee): In function `dipole_':
: undefined reference to `vmldCos2'
dipole.o(.text+0x1a5b): In function `dipole_':
: undefined reference to `vmldCos2'
dipole.o(.text+0x1a91): In function `dipole_':
: undefined reference to `vmldSin2'
make[1]: *** [aimc] Error 1
make[1]: Leaving directory `/home/wd/WIEN2k/SRC_aim'
make: *** [complex] Error 2
R -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c follow.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c interp.f
cc -c cputim.c
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c jacobi.f
jacobi.f(23) : (col. 6) remark: PARTIAL LOOP WAS VECTORIZED.
jacobi.f(66) : (col. 14) remark: LOOP WAS VECTORIZED.
jacobi.f(84) : (col. 14) remark: LOOP WAS VECTORIZED.
jacobi.f(94) : (col. 8) remark: LOOP WAS VECTORIZED.
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c ludcmp.f
ludcmp.f(76) : (col. 10) remark: LOOP WAS VECTORIZED.
ludcmp.f(145) : (col. 6) remark: LOOP WAS VECTORIZED.
ludcmp.f(210) : (col. 10) remark: LOOP WAS VECTORIZED.
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c spline.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c doit.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c dtdtylm.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c sumdd.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW -c hrhosphe.f
hrhosphe.f(143) : (col. 12) remark: PARTIAL LOOP WAS VECTORIZED.

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可见百川东到海飘逸自随青山成

5楼2009-05-05 17:21:38

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

newness

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金币: 723.4
散金: 302
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帖子: 124
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注册: 2008-04-02
性别: GG
专业: 凝聚态物性 II ：电子结构

呵呵，太长啦，分成三部分来贴

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6楼2009-05-05 17:22:36

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

newness

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应助: 0 (幼儿园)
金币: 723.4
散金: 302
红花: 1
帖子: 124
在线: 70.5小时
虫号: 538458
注册: 2008-04-02
性别: GG
专业: 凝聚态物性 II ：电子结构

分成三部分还没贴完，GOD!
继续补充
rotate_back.o gen_brav.o  interst.o  sphere.o  init.o  onestep.o rsurf.o  gaule
g.o  critic.o  surf.o integrho.o follow.o interp.o cputim.o jacobi.o ludcmp.o sp
line.o doit.o dtdtylm.o sumdd.o hrhosphe.o matprod.o readcs.o dipole.o rho.o cos
sin.o  intlib.o davint.o d1mach.o sortag.o follown.o SplineFit.o CheckCSpline.o
-L/opt/intel_fc_80/lib -L/opt/intel/mkl701cluster/lib/32 -L/usr/lib -L/opt/mpic
h/intel/lib -L/home/wd/WIEN2k/SRC_lib -lguide -lpthread -L /usr/lib/liblapack.a
-L../SRC_lib/liblapack_lapw.a -L../SRC_lib/libblas_lapw.a -lmkl_lapack -lmkl_ia3
2 -llapack_lapw -lblas_lapw -llapack_lapw -lblas_lapw -lguide -lpthread
init.o(.text+0x20a2): In function `init_':
: undefined reference to `vmldExp2'
dipole.o(.text+0x1487): In function `dipole_':
: undefined reference to `vmldSin2'
dipole.o(.text+0x14a7): In function `dipole_':
: undefined reference to `vmldCos2'
dipole.o(.text+0x1514): In function `dipole_':
: undefined reference to `vmldCos2'
dipole.o(.text+0x154a): In function `dipole_':
: undefined reference to `vmldSin2'
dipole.o(.text+0x19ce): In function `dipole_':
: undefined reference to `vmldSin2'
dipole.o(.text+0x19ee): In function `dipole_':
: undefined reference to `vmldCos2'
dipole.o(.text+0x1a5b): In function `dipole_':
: undefined reference to `vmldCos2'
dipole.o(.text+0x1a91): In function `dipole_':
: undefined reference to `vmldSin2'
make[1]: *** [aimc] Error 1
make[1]: Leaving directory `/home/wd/WIEN2k/SRC_aim'
make: *** [complex] Error 2

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7楼2009-05-05 17:24:05

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newness

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应助: 0 (幼儿园)
金币: 723.4
散金: 302
红花: 1
帖子: 124
在线: 70.5小时
虫号: 538458
注册: 2008-04-02
性别: GG
专业: 凝聚态物性 II ：电子结构

这是我的WIEn2k/OPTION，被我反复改的都无语了

current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW
current:FPOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xW
current:LDFLAGS:-L/opt/intel_fc_80/lib -L/opt/intel/mkl701cluster/lib/32 -L/usr/
lib -L/opt/mpich/intel/lib -L/home/wd/WIEN2k/SRC_lib -lguide -lpthread
current

PARALLEL:'-DParallel'
current:R_LIBS:-L /usr/lib/liblapack.a -L../SRC_lib/liblapack_lapw.a -L../SRC_li
b/libblas_lapw.a -lmkl_lapack -lmkl_ia32 -llapack_lapw -lblas_lapw -llapack_lapw
-lblas_lapw -lguide -lpthread
current:RP_LIBS:-L/opt/intel_fc_80/lib -L/opt/intel/mkl701cluster/lib/32 -L/opt/
mpich/intel/include

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可见百川东到海飘逸自随青山成

8楼2009-05-05 17:27:27

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zxzj05

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好乱
“-L/opt/intel_fc_80/lib -L/opt/intel/mkl701cluster/lib/32 -L/usr/lib -L/opt/mpic
h/intel/lib -L/home/wd/WIEN2k/SRC_lib -lguide -lpthread -L /usr/lib/liblapack.a
-L../SRC_lib/liblapack_lapw.a -L../SRC_lib/libblas_lapw.a -lmkl_lapack -lmkl_ia3
2 -llapack_lapw -lblas_lapw -llapack_lapw -lblas_lapw -lguide -lpthread”

似乎是函数库链接设置出问题了

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储氢家族欢迎储氢研究者！

9楼2009-05-05 21:21:56

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newness

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谢谢各位热心帮助！
我R_libs 原来设置为-llapack_lapw -lblas_lapw -lguide -lpthread，后来改了很多版本，但错误基本一样。编译过程中，我参考了userguide,张挺的《材料模拟计算软件WIEN2K》，Gerhard H. Fecher的《Compiling Wien2k
on Intel based systems with Suse Linux.》，以及网络上能搜到的信息。到现在编译了不下50次，唉，都怀疑自己的智商了。另外，我们的服务器用的rocks cluster 3.3，不知道是不是因为系统版本太老编译不了wien2k_09版本。有谁在cluster上编译成功过09版没？

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可见百川东到海飘逸自随青山成

10楼2009-05-05 23:13:35

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