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小木虫论坛-学术科研互动平台 » 计算模拟区 » 第一性原理 » Vasp&MedeA » 【求助】VASP使用出错，问题请教
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marklau

银虫 (小有名气)

[交流] 【求助】VASP使用出错，问题请教

我按照http://muchong.com/bbs/viewthread.php?tid=1332100 安装的VASP  之前试过用ifc+mkl来装没有成功。用教程上的几个例子试了下，出现好几种错误。我将出现的错误贴在下面，请高手指点帮忙。


-------------------------------------------------------------------------------------
1.
vasp.4.6.28 25Jul05 complex
POSCAR found :  1 types and    1 ions
LDA part: xc-table for Pade appr. of Perdew
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: wrap around errors must be expected
FFT: planning ...                        1
reading WAVECAR
entering main loop
       N       E                     dE             d eps       ncg     rms      rms(c)
DAV:   1    -0.338973130252E+01   -0.33897E+01   -0.12015E+03  3876   0.283E+02
DAV:   2    -0.487662410409E+01   -0.14869E+01   -0.14294E+01  4980   0.251E+01
DAV:   3    -0.488645576189E+01   -0.98317E-02   -0.98292E-02  4032   0.202E+00
DAV:   4    -0.488646366765E+01   -0.79058E-05   -0.79445E-05  5004   0.561E-02
DAV:   5    -0.488646367098E+01   -0.33273E-08   -0.34223E-08  3732   0.826E-04    0.770E-01
DAV:   6    -0.487366409615E+01    0.12800E-01   -0.40409E-03  3762   0.367E-01    0.460E-01
DAV:   7    -0.486631050449E+01    0.73536E-02   -0.89423E-03  3648   0.543E-01    0.254E-02
DAV:   8    -0.486630058326E+01    0.99212E-05   -0.31811E-05  3234   0.498E-02
Segmentation fault
-----------------------------------------------------------------------------------
2.
vasp.4.6.28 25Jul05 complex
POSCAR found :  1 types and    1 ions
LDA part: xc-table for Pade appr. of Perdew
WARNING: stress and forces are not correct
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: wrap around errors must be expected
FFT: planning ...                        1
reading WAVECAR
WARNING: chargedensity file is incomplete
ERROR: charge density could not be read from file CHGCAR for ICHARG>10
FORTRAN STOP

-----------------------------------------------------------------------------------
3.
linux-n5rt:/home/VASP-example/Handson2/2_2_fccSi_dos # vasp
vasp.4.6.28 25Jul05 complex
POSCAR found :  1 types and    1 ions
LDA part: xc-table for Pade appr. of Perdew
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: wrap around errors must be expected
FFT: planning ...                        1
reading WAVECAR
WARNING: random wavefunctions but no delay for mixing, default for NELMDL
entering main loop
       N       E                     dE             d eps       ncg     rms      rms(c)
DAV:   1    -0.338973130252E+01   -0.33897E+01   -0.12015E+03  3876   0.283E+02
DAV:   2    -0.487662410409E+01   -0.14869E+01   -0.14294E+01  4980   0.251E+01
DAV:   3    -0.488645576189E+01   -0.98317E-02   -0.98292E-02  4032   0.202E+00
DAV:   4    -0.488646366765E+01   -0.79058E-05   -0.79445E-05  5004   0.561E-02
DAV:   5    -0.488646367098E+01   -0.33273E-08   -0.34223E-08  3732   0.826E-04    0.770E-01
DAV:   6    -0.487366409615E+01    0.12800E-01   -0.40409E-03  3762   0.367E-01    0.460E-01
DAV:   7    -0.486631050449E+01    0.73536E-02   -0.89423E-03  3648   0.543E-01    0.254E-02
DAV:   8    -0.486630058326E+01    0.99212E-05   -0.31811E-05  3234   0.498E-02
*** glibc detected *** vasp: double free or corruption (!prev): 0x0000000001121df0 ***
======= Backtrace: =========
/lib64/libc.so.6[0x2afa248b331e]
/lib64/libc.so.6(__libc_free+0x6c)[0x2afa248b4d7c]
vasp[0x5067a4]
======= Memory map: ========
00400000-00c06000 r-xp 00000000 08:02 155614                             /bin/vasp
00d05000-00d34000 rwxp 00805000 08:02 155614                             /bin/vasp
00d34000-0119a000 rwxp 00d34000 00:00 0                                  [heap]
2afa243b4000-2afa243cf000 r-xp 00000000 08:02 20404                      /lib64/ld-2.4.so
2afa243cf000-2afa243d5000 rwxp 2afa243cf000 00:00 0
2afa243f4000-2afa24446000 rwxp 2afa243f4000 00:00 0
2afa244ce000-2afa244d0000 rwxp 0001a000 08:02 20404                      /lib64/ld-2.4.so
2afa244d0000-2afa244d8000 r-xp 00000000 08:02 20441                      /lib64/librt-2.4.so
2afa244d8000-2afa245d7000 ---p 00008000 08:02 20441                      /lib64/librt-2.4.so
2afa245d7000-2afa245d9000 rwxp 00007000 08:02 20441                      /lib64/librt-2.4.so
2afa245d9000-2afa245ed000 r-xp 00000000 08:02 20437                      /lib64/libpthread-2.4.so
2afa245ed000-2afa246ec000 ---p 00014000 08:02 20437                      /lib64/libpthread-2.4.so
2afa246ec000-2afa246ee000 rwxp 00013000 08:02 20437                      /lib64/libpthread-2.4.so
2afa246ee000-2afa246f2000 rwxp 2afa246ee000 00:00 0
2afa246f2000-2afa24746000 r-xp 00000000 08:02 20419                      /lib64/libm-2.4.so
2afa24746000-2afa24845000 ---p 00054000 08:02 20419                      /lib64/libm-2.4.so
2afa24845000-2afa24847000 rwxp 00053000 08:02 20419                      /lib64/libm-2.4.so
2afa24847000-2afa24848000 rwxp 2afa24847000 00:00 0
2afa24848000-2afa2497e000 r-xp 00000000 08:02 20411                      /lib64/libc-2.4.so
2afa2497e000-2afa24a7e000 ---p 00136000 08:02 20411                      /lib64/libc-2.4.so
2afa24a7e000-2afa24a81000 r-xp 00136000 08:02 20411                      /lib64/libc-2.4.so
2afa24a81000-2afa24a83000 rwxp 00139000 08:02 20411                      /lib64/libc-2.4.so
2afa24a83000-2afa2533d000 rwxp 2afa24a83000 00:00 0
2afa25400000-2afa25421000 rwxp 2afa25400000 00:00 0
2afa25421000-2afa25500000 ---p 2afa25421000 00:00 0
2afa25500000-2afa2550d000 r-xp 00000000 08:02 33441                      /lib64/libgcc_s.so.1
2afa2550d000-2afa2560c000 ---p 0000d000 08:02 33441                      /lib64/libgcc_s.so.1
2afa2560c000-2afa2560d000 rwxp 0000c000 08:02 33441                      /lib64/libgcc_s.so.1
7fff866df000-7fff866f6000 rwxp 7fff866df000 00:00 0                      [stack]ffffffffff600000-ffffffffffe00000 ---p 00000000 00:00 0                  [vdso]
Aborted

-------------------------------------------------------------------------------------
4.
linux-n5rt:/home/VASP-example/Handson4/4_5_Fe_dimer # vasp
vasp.4.6.28 25Jul05 complex
POSCAR found :  1 types and    2 ions
ERROR: non collinear calculations require that VASP is compiled
  without the flag -DNGXhalf and -DNGZhalf
FORTRAN STOP
linux-n5rt:/home/VASP-example/Handson4/4_5_Fe_dimer #
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1楼2009-05-18 20:00:57
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405963512

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你不是编好了吗，怎么，不能用啊？那我还没装上呢！看看哪位能帮忙解答！
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2楼2009-05-18 20:39:27
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marklau

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引用回帖:
Originally posted by 405963512 at 2009-5-18 20:39:
你不是编好了吗，怎么，不能用啊？那我还没装上呢！看看哪位能帮忙解答！

呵呵  比较乱，编成了 但是问题还有
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3楼2009-05-18 21:04:48
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wuchenwf

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★ ★
marklau(金币+1,VIP+0):谢谢支持 5-18 21:38
zxzj05(金币+1,VIP+0):鼓励讨论！^_^ 5-19 18:45
引用回帖:
Originally posted by marklau at 2009-5-18 21:04:

呵呵  比较乱，编成了 但是问题还有

确实，这个信息咋这么丰富呢，这个是在测试还是正式算？
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4楼2009-05-18 21:23:24
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marklau

银虫 (小有名气)
引用回帖:
Originally posted by wuchenwf at 2009-5-18 21:23:



确实，这个信息咋这么丰富呢，这个是在测试还是正式算？

测试
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5楼2009-05-18 21:31:36
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wuchenwf

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★ ★ ★ ★
wuli8(金币+3,VIP+0):3ks 5-18 22:16
marklau(金币+1,VIP+0): 5-18 22:44
ERROR: non collinear calculations require that VASP is compiled
  without the flag -DNGXhalf and -DNGZhalf
FORTRAN STOP
linux-n5rt:/home/VASP-example/Handson4/4_5_Fe_dimer #

从这个看起来，你在做那个handson上面的例子
先用benchment那个例子弄一下
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6楼2009-05-18 21:47:45
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marklau

银虫 (小有名气)
引用回帖:
Originally posted by wuchenwf at 2009-5-18 21:47:
ERROR: non collinear calculations require that VASP is compiled
  without the flag -DNGXhalf and -DNGZhalf
FORTRAN STOP
linux-n5rt:/home/VASP-example/Handson4/4_5_Fe_dimer #

从这个看起来，你在 ...

benchment？

何物？没有见过，哪里的东西？
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7楼2009-05-18 22:44:18
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wuchenwf

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★
marklau(金币+1,VIP+0):谢谢 5-19 09:26
vasp的标准测试程序
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8楼2009-05-18 23:48:16
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veryman

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$_$
★
marklau(金币+1,VIP+0):谢谢 5-19 09:26
把你的makefile也弄出来大家看看吧，好像有些问题。
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9楼2009-05-19 07:44:42
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marklau

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引用回帖:
Originally posted by veryman at 2009-5-19 07:44:
把你的makefile也弄出来大家看看吧，好像有些问题。

可能是吧，贴出来，请大家看看

.SUFFIXES: .inc .f .f90 .F
#-----------------------------------------------------------------------
# Makefile for the PGI f90 (pgf90) compiler for Athlon Opteron systems
#
# The makefile was tested only under Linux on Intel platforms
#
# it might be required to change some of library pathes, since
# LINUX installation vary a lot
# Hence check ***ALL**** options in this makefile very carefully
#-----------------------------------------------------------------------
#
# BLAS must be installed on the machine
# there are several options:
# 1) very slow but works:
#   retrieve the lapackage from ftp.netlib.org
#   and compile the blas routines (BLAS/SRC directory)
#   please use g77 or f77 for the compilation. When I tried to
#   use pgf77 or pgf90 for BLAS, VASP hang up when calling
#   ZHEEV  (however this was with lapack 1.1 now I use lapack 2.0)
# 2) most desirable: get an optimized BLAS
#
# the two most reliable packages around are presently:
# 3a) Intels own optimised BLAS (PIII, P4, Itanium)
#     http://developer.intel.com/software/products/mkl/
#   this is really excellent when you use Intel CPU's
#
# 3b) or obtain the atlas based BLAS routines
#     http://math-atlas.sourceforge.net/
#   you certainly need atlas on the Athlon, since the  mkl
#   routines are not optimal on the Athlon.
#   If you want to use atlas based BLAS, check the lines around LIB=
#
# 3c) mindblowing fast SSE2 (4 GFlops on P4, 2.53 GHz)
#   Kazushige Goto's BLAS
#   http://www.cs.utexas.edu/users/kgoto/signup_first.html
#
#-----------------------------------------------------------------------

# all CPP processed fortran files have the extension .f90
SUFFIX=.f90

#-----------------------------------------------------------------------
# fortran compiler and linker
#-----------------------------------------------------------------------
FC=pgf90
# fortran linker
FCL=$(FC)


#-----------------------------------------------------------------------
# whereis CPP ?? (I need CPP, can't use gcc with proper options)
# that's the location of gcc for SUSE 5.3
#
#  CPP_   =  /usr/lib/gcc-lib/i486-linux/2.7.2/cpp -P -C
#
# that's probably the right line for some Red Hat distribution:
#
#  CPP_   =  /usr/lib/gcc-lib/i386-redhat-linux/2.7.2.3/cpp -P -C
#
#  SUSE X.X, maybe some Red Hat distributions:

CPP_ =  ./preprocess <$*.F | /usr/bin/cpp -P -C -traditional >$*$(SUFFIX)

#-----------------------------------------------------------------------
# possible options for CPP:
# NGXhalf             charge density   reduced in X direction
# wNGXhalf            gamma point only reduced in X direction
# avoidalloc          avoid ALLOCATE if possible
# IFC                 work around some IFC bugs
# CACHE_SIZE          1000 for PII,PIII, 5000 for Athlon, 8000-12000 P4
# RPROMU_DGEMV        use DGEMV instead of DGEMM in RPRO (depends on used BLAS)
# RACCMU_DGEMV        use DGEMV instead of DGEMM in RACC (depends on used BLAS)
#-----------------------------------------------------------------------

CPP     = $(CPP_)  -DHOST=\"LinuxIFC\" \
          -Dkind8 -DNGXhalf -DCACHE_SIZE=8000 -DPGF90 -Davoidalloc \
#          -DRPROMU_DGEMV  -DRACCMU_DGEMV

#-----------------------------------------------------------------------
# general fortran flags  (there must a trailing blank on this line)
#-----------------------------------------------------------------------

FFLAGS =  -Mfree  -tp k8-64 -i8

#-----------------------------------------------------------------------
# optimization
# no in depth tests done yet -O3 however seems to be sensible
#-----------------------------------------------------------------------

OFLAG=-O3

OFLAG_HIGH = $(OFLAG)
OBJ_HIGH =

OBJ_NOOPT =
DEBUG  = -O0
INLINE = $(OFLAG)


#-----------------------------------------------------------------------
# the following lines specify the position of BLAS  and LAPACK
# on Opteron, VASP works fastest with the libgoto library
# so that's what I recommend
#-----------------------------------------------------------------------

# Atlas based libraries
ATLASHOME= /usr/local/Linux_HAMMER64SSE2_2/lib
BLAS=   -L$(ATLASHOME)  -lf77blas -latlas

# use specific libraries (default library path might point to other libraries)
#BLAS= $(ATLASHOME)/libf77blas.a $(ATLASHOME)/libatlas.a

# use the mkl Intel libraries for p4 (www.intel.com)
# mkl.5.1
# set -DRPROMU_DGEMV  -DRACCMU_DGEMV in the CPP lines
#BLAS=-L/opt/intel/mkl/lib/32 -lmkl_p4  -lpthread

# mkl.5.2 requires also to -lguide library
# set -DRPROMU_DGEMV  -DRACCMU_DGEMV in the CPP lines
#BLAS=-L/opt/intel/mkl/lib/32 -lmkl_p4 -lguide -lpthread

# even faster Kazushige Goto's BLAS
# http://www.cs.utexas.edu/users/kgoto/signup_first.html
#BLAS=  /home/kresse/64/vasp.4.6/libgoto_opt64-r0.93.so

# LAPACK, simplest use vasp.4.lib/lapack_double
LAPACK= /root/vasp/vasp.4.lib/lapack_double.o

# use atlas optimized part of lapack
#LAPACK= ../vasp.4.lib/lapack_atlas.o  -llapack -lcblas

# use the mkl Intel lapack
#LAPACK= -lmkl_lapack

#-----------------------------------------------------------------------

LIB  = -L../vasp.4.lib -ldmy \
     ../vasp.4.lib/linpack_double.o $(LAPACK) \
     $(BLAS)

# options for linking (for compiler version 6.X, 7.1) nothing is required
LINK    =  -tp k8-64

#-----------------------------------------------------------------------
# fft libraries:
# VASP.4.6 can use fftw.3.0.X (http://www.fftw.org)
# since this version is faster on P4 machines, we recommend to use it
#-----------------------------------------------------------------------

FFT3D   = fft3dfurth.o fft3dlib.o
FFT3D   = fftw3d.o fft3dlib.o   /usr/local/fftw-3.1.3/lib/libfftw3.a


#=======================================================================
# MPI section, uncomment the following lines
#
# one comment for users of mpich or lam:
# You must *not* compile mpi with g77/f77, because f77/g77            
# appends *two* underscores to symbols that contain already an        
# underscore (i.e. MPI_SEND becomes mpi_send__).  The pgf90/ifc
# compilers however append only one underscore.
# Precompiled mpi version will also not work !!!
#
# We found that mpich.1.2.1 and lam-6.5.X to lam-7.0.4 are stable
# mpich.1.2.1 was configured with
#  ./configure -prefix=/usr/local/mpich_nodvdbg -fc="pgf77 -Mx,119,0x200000"  \
# -f90="pgf90 -Mx,119,0x200000" \
# --without-romio --without-mpe -opt=-O \
#
# lam was configured with the line
#  ./configure  -prefix /opt/libs/lam-7.0.4 --with-cflags=-O -with-fc=pgf77 \
# --with-f77flags=-O --without-romio
#
# please note that you might be able to use a lam or mpich version
# compiled with f77/g77, but then you need to add the following
# options: -Msecond_underscore (compilation) and -g77libs (linking)
#
# !!! Please do not send me any queries on how to install MPI, I will
# certainly not answer them !!!!
#=======================================================================
#-----------------------------------------------------------------------
# fortran linker for mpi: if you use LAM and compiled it with the options
# suggested above,  you can use the following line
#-----------------------------------------------------------------------

#FC=mpif77
#FCL=$(FC)

#-----------------------------------------------------------------------
# additional options for CPP in parallel version (see also above):
# NGZhalf               charge density   reduced in Z direction
# wNGZhalf              gamma point only reduced in Z direction
# scaLAPACK             use scaLAPACK (usually slower on 100 Mbit Net)
#-----------------------------------------------------------------------

#CPP    = $(CPP_) -DMPI  -DHOST=\"LinuxIFC\" -DIFC \
#     -Dkind8 -DNGZhalf -DCACHE_SIZE=4000 -DPGF90 -Davoidalloc \
#     -DMPI_BLOCK=500  \
##    -DRPROMU_DGEMV  -DRACCMU_DGEMV

#-----------------------------------------------------------------------
# location of SCALAPACK
# if you do not use SCALAPACK simply uncomment the line SCA
#-----------------------------------------------------------------------

BLACS=$(HOME)/archives/SCALAPACK/BLACS/
SCA_=$(HOME)/archives/SCALAPACK/SCALAPACK

SCA= $(SCA_)/libscalapack.a  \
$(BLACS)/LIB/blacsF77init_MPI-LINUX-0.a $(BLACS)/LIB/blacs_MPI-LINUX-0.a $(BLACS)/LIB/blacsF77init_MPI-LINUX-0.a

SCA=

#-----------------------------------------------------------------------
# libraries for mpi
#-----------------------------------------------------------------------

#LIB     = -L../vasp.4.lib -ldmy  \
#      ../vasp.4.lib/linpack_double.o $(LAPACK) \
#      $(SCA) $(BLAS)

# FFT: fftmpi.o with fft3dlib of Juergen Furthmueller
#FFT3D   = fftmpi.o fftmpi_map.o fft3dlib.o

# fftw.3.0.1 is slighly faster and should be used if available
#FFT3D   = fftmpiw.o fftmpi_map.o fft3dlib.o   /opt/libs/fftw-3.0.1/lib/libfftw3.a

#-----------------------------------------------------------------------
# general rules and compile lines
#-----------------------------------------------------------------------
BASIC=   symmetry.o symlib.o   lattlib.o  random.o   

SOURCE=  base.o     mpi.o      smart_allocate.o      xml.o  \
         constant.o jacobi.o   main_mpi.o  scala.o   \
         asa.o      lattice.o  poscar.o   ini.o      setex.o     radial.o  \
         pseudo.o   mgrid.o    mkpoints.o wave.o      wave_mpi.o  $(BASIC) \
         nonl.o     nonlr.o    dfast.o    choleski2.o    \
         mix.o      charge.o   xcgrad.o   xcspin.o    potex1.o   potex2.o  \
         metagga.o  constrmag.o pot.o      cl_shift.o force.o    dos.o      elf.o      \
         tet.o      hamil.o    steep.o    \
         chain.o    dyna.o     relativistic.o LDApU.o sphpro.o  paw.o   us.o \
         ebs.o      wavpre.o   wavpre_noio.o broyden.o \
         dynbr.o    rmm-diis.o reader.o   writer.o   tutor.o xml_writer.o \
         brent.o    stufak.o   fileio.o   opergrid.o stepver.o  \
         dipol.o    xclib.o    chgloc.o   subrot.o   optreal.o   davidson.o \
         edtest.o   electron.o shm.o      pardens.o  paircorrection.o \
         optics.o   constr_cell_relax.o   stm.o    finite_diff.o \
         elpol.o    setlocalpp.o

INC=

vasp: $(SOURCE) $(FFT3D) $(INC) main.o
        rm -f vasp
        $(FCL) -o vasp $(LINK) main.o  $(SOURCE)   $(FFT3D) $(LIB)
makeparam: $(SOURCE) $(FFT3D) makeparam.o main.F $(INC)
        $(FCL) -o makeparam  $(LINK) makeparam.o $(SOURCE) $(FFT3D) $(LIB)
zgemmtest: zgemmtest.o base.o random.o $(INC)
        $(FCL) -o zgemmtest $(LINK) zgemmtest.o random.o base.o $(LIB)
dgemmtest: dgemmtest.o base.o random.o $(INC)
        $(FCL) -o dgemmtest $(LINK) dgemmtest.o random.o base.o $(LIB)
ffttest: base.o smart_allocate.o mpi.o mgrid.o random.o ffttest.o $(FFT3D) $(INC)
        $(FCL) -o ffttest $(LINK) ffttest.o mpi.o mgrid.o random.o smart_allocate.o base.o $(FFT3D) $(LIB)
kpoints: $(SOURCE) $(FFT3D) makekpoints.o main.F $(INC)
        $(FCL) -o kpoints $(LINK) makekpoints.o $(SOURCE) $(FFT3D) $(LIB)

clean:       
        -rm -f *.g *.f *.o *.L *.mod ; touch *.F

main.o: main$(SUFFIX)
        $(FC) $(FFLAGS)$(DEBUG)  $(INCS) -c main$(SUFFIX)
xcgrad.o: xcgrad$(SUFFIX)
        $(FC) $(FFLAGS) $(INLINE)  $(INCS) -c xcgrad$(SUFFIX)
xcspin.o: xcspin$(SUFFIX)
        $(FC) $(FFLAGS) $(INLINE)  $(INCS) -c xcspin$(SUFFIX)

makeparam.o: makeparam$(SUFFIX)
        $(FC) $(FFLAGS)$(DEBUG)  $(INCS) -c makeparam$(SUFFIX)

makeparam$(SUFFIX): makeparam.F main.F
#
# MIND: I do not have a full dependency list for the include
# and MODULES: here are only the minimal basic dependencies
# if one strucuture is changed then touch_dep must be called
# with the corresponding name of the structure
#
base.o: base.inc base.F
mgrid.o: mgrid.inc mgrid.F
constant.o: constant.inc constant.F
lattice.o: lattice.inc lattice.F
setex.o: setexm.inc setex.F
pseudo.o: pseudo.inc pseudo.F
poscar.o: poscar.inc poscar.F
mkpoints.o: mkpoints.inc mkpoints.F
wave.o: wave.inc wave.F
nonl.o: nonl.inc nonl.F
nonlr.o: nonlr.inc nonlr.F

$(OBJ_HIGH):
        $(CPP)
        $(FC) $(FFLAGS) $(OFLAG_HIGH) $(INCS) -c $*$(SUFFIX)
$(OBJ_NOOPT):
        $(CPP)
        $(FC) $(FFLAGS) $(INCS) -c $*$(SUFFIX)

fft3dlib_f77.o: fft3dlib_f77.F
        $(CPP)
        $(F77) $(FFLAGS_F77) -c $*$(SUFFIX)

.F.o:
        $(CPP)
        $(FC) $(FFLAGS) $(OFLAG) $(INCS) -c $*$(SUFFIX)
.F$(SUFFIX):
        $(CPP)
$(SUFFIX).o:
        $(FC) $(FFLAGS) $(OFLAG) $(INCS) -c $*$(SUFFIX)

# special rules
#-----------------------------------------------------------------------
# these special rules are cummulative (that is once failed
#   in one compiler version, stays in the list forever)
# -tpp5|6|7 P, PII-PIII, PIV
# -xW use SIMD (does not pay of on PII, since fft3d uses double prec)
# all other options do no affect the code performance since -O1 is used
#-----------------------------------------------------------------------

fft3dlib.o : fft3dlib.F
        $(CPP)
        $(FC) $(FFLAGS) -fastsse  -Mipa=fast -c $*$(SUFFIX)
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