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[求助]
wien2k mpi ?K行编译报错 已有1人参与
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mpi编译报错，请教如何解决 touch .parallel make PARALLEL='-DParallel' ./lapw0_mpi \ FORT=mpif90 FFLAGS=' -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -Dmkl_scalapack -traceback -DFFTW3 -I/usr/local/include '-DParallel'' make[1]: Entering directory `/home/stretch/gskgroup/WIEN2k/SRC_lapw0' mpif90 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -Dmkl_scalapack -traceback -DFFTW3 -I/usr/local/include -DParallel -c modules.F gfortran: unrecognized option '-prec_div' gfortran: unrecognized option '-pc80' gfortran: unrecognized option '-pad' gfortran: unrecognized option '-traceback' f951: warning: command line option "-FR" is valid for C/C++/ObjC/ObjC++ but not for Fortran f951: error: unrecognized command line option "-ip" f951: error: unrecognized command line option "-mp1" make[1]: *** [modules.o] Error 1 make[1]: Leaving directory `/home/stretch/gskgroup/WIEN2k/SRC_lapw0' make: *** [para] Error 2 Copying programs SRC_lapw0/lapw0 done. Compile time errors (if any) were: SRC_lapw0/compile.msg:f951: error: unrecognized command line option "-ip" SRC_lapw0/compile.msg:f951: error: unrecognized command line option "-mp1" SRC_lapw0/compile.msg:make[1]: *** [modules.o] Error 1 SRC_lapw0/compile.msg:make: *** [para] Error 2 试过在.cshrc内加入以下命令但还是报错 setenv I_MPI_CC icc setenv I_MPI_F77 ifort setenv I_MPI_F90 ifort |
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2楼2015-01-07 12:11:23
ljw4010
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3楼2015-01-07 12:33:02
4楼2015-01-07 12:35:04
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在siteconfig中關於并行的設置為 FFTW_LIB + FFTW_OPT : -lfftw3_mpi -lfftw3 -L/usr/local/lib + -DFFTW3 -I/usr/local/include (already set) RP RP_LIB(SCALAPACK+PBLAS): -lmkl_scalapack_lp64 -lmkl_solver_lp64 -lmkl_blacs_lp64 $(R_LIBS) FP FPOPT(par.comp.options): -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -Dmkl_scalapack -traceback MP MPIRUN commando : mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_ 我可以直接更改FP而不改串行的設置嗎? 用的是學校的cluster，只能用mpif90 和 ifort |
5楼2015-01-07 16:40:09
6楼2015-01-07 18:23:23
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我把FP的設置改成 FP FPOPT(par.comp.options): -90=ifort -O3 沒有了gfortran的報錯, 但出現了下面的報錯, 有方法可以修正嗎?? mpif90 -f90=ifort -O3 -DFFTW3 -I/usr/local/include -DParallel -c modules.F : error #5149: Illegal character in statement label field [M] : error #5149: Illegal character in statement label field [O] : error #5149: Illegal character in statement label field [D] : error #5149: Illegal character in statement label field [U] : error #5118: First statement in file must not be continued modules.F(2): error #5149: Illegal character in statement label field [R] REAL*8,PARAMETER :: zero= 0.0d0LEX --^ modules.F(2): error #5149: Illegal character in statement label field [E] REAL*8,PARAMETER :: zero= 0.0d0LEX ---^ modules.F(2): error #5149: Illegal character in statement label field [A] REAL*8,PARAMETER :: zero= 0.0d0LEX ----^ modules.F(3): error #5149: Illegal character in statement label field [C] COMP*16,PARAMETER :: zeroc= (0.0d0,0.0d0) --^ modules.F(3): error #5149: Illegal character in statement label field [O] COMP*16,PARAMETER :: zeroc= (0.0d0,0.0d0) ---^ modules.F(3): error #5149: Illegal character in statement label field [M] COMP*16,PARAMETER :: zeroc= (0.0d0,0.0d0) ----^ modules.F(4): error #5149: Illegal character in statement label field [E] END MODULE defs ^ modules.F(4): error #5149: Illegal character in statement label field [N] END MODULE defs -^ modules.F(4): error #5149: Illegal character in statement label field [D] END MODULE defs --^ modules.F(4): error #5149: Illegal character in statement label field [M] END MODULE defs ----^ modules.F(6): error #5149: Illegal character in statement label field [M] MODULE parallel ^ modules.F(6): error #5149: Illegal character in statement label field [O] MODULE parallel -^ modules.F(6): error #5149: Illegal character in statement label field [D] MODULE parallel --^ modules.F(6): error #5149: Illegal character in statement label field [U] MODULE parallel ---^ modules.F(6): error #5149: Illegal character in statement label field [L] MODULE parallel ----^ modules.F(8): error #5149: Illegal character in statement label field use :: ISO_C_BINDING, only: C_INTPTR_T --^ modules.F(8): error #5149: Illegal character in statement label field [s] use :: ISO_C_BINDING, only: C_INTPTR_T ---^ modules.F(8): error #5149: Illegal character in statement label field [e] use :: ISO_C_BINDING, only: C_INTPTR_T ----^ modules.F(2): error #5082: Syntax error, found '*' when expecting one of: ( % : . = => REAL*8,PARAMETER :: zero= 0.0d0LEX ------^ modules.F(2): error #5082: Syntax error, found '=' when expecting one of: ( * ) :: , <END-OF-STATEMENT> ; + . - % (/ [ : ] /) . ** / // ... REAL*8,PARAMETER :: zero= 0.0d0LEX --------------------------------------^ modules.F(12): error #5149: Illegal character in statement label field [I] INTEGER :: ierr,npe,myid,npe_coul,myid_coulGER --^ modules.F(12): error #5149: Illegal character in statement label field [N] INTEGER :: ierr,npe,myid,npe_coul,myid_coulGER ---^ modules.F(12): error #5149: Illegal character in statement label field [T] INTEGER :: ierr,npe,myid,npe_coul,myid_coulGER ----^ modules.F(13): error #5149: Illegal character in statement label field [I] INTE,ALLOCATABLE :: nstart(  ,nstop(--^ modules.F(13): error #5149: Illegal character in statement label field [N] INTE,ALLOCATABLE :: nstart( ,nstop(---^ (15): catastrophic error: Too many errors, exiting compilation aborted for modules.F (code 1) make[1]: *** [modules.o] Error 1 make[1]: Leaving directory `/home/stretch/gskgroup/WIEN2k/SRC_lapw0' make: *** [para] Error 2 |
7楼2015-01-08 12:59:35
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??_???r???????k?c???е????node=1:ppn=16 ????????einsufficient virtual memory???? (????s100??atom??supercell) ??????????????c????????k?c?????qsub ?? script???@???: ---------------------------------------------------- #!/bin/tcsh #PBS -S /bin/bash #PBS -l nodes=8:ppn=1 #PBS -l walltime=50:00:00 #PBS -o wien2k_output #PBS -j oe #PBS -q cluster cd $PBS_O_WORKDIR #example for k-point parallel lapw1/2 echo '#' > .machines echo 'granularity:1' >>.machines awk '{print "1:"$1":1"}' $PBS_NODEFILE >>.machines echo 'extrafine:1' >>.machines #define here your Wien2k command run_lapw -p -fc 0.1 -ec 0.00001 -cc 0.0001 -it --------------------------------------------------------------------- ?a????.machines ?n?? # granularity:1 1:node1:1 1:node2:1 1:node3:1 1:node4:1 1:node5:1 1:node5:1 1:node5:1 1:node5:1 extrafine:1 --------------------------------------- ???????N??node5???????4??k?c??????з???????????????????c????^???k?c??? |
8楼2015-01-08 13:15:49
9楼2015-01-08 16:05:58