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【求助】MS在Linux下的并行計算問題 已有5人參與
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先在win下生成計算castep所需的文件,param和cell,導(dǎo)入Linux系統(tǒng)。 在計算的時候,如果不指定cpu的個數(shù),直接“./RunCastep.sh name”,就能計算。 生成的std_out.txt顯示: Checked out license feature: MS_castep 但是如果指定個數(shù),例如,“./RunCastep.sh -np 4 name”,就會出錯,算不了。 生成的std_out.txt顯示: ------------------------------------------------------------------------------------------------------------------- invalid "local" arg: -e usage: mpiexec [-h or -help or --help] # get this message mpiexec -file filename # (or -f) filename contains XML job description mpiexec [global args] [local args] executable [args] where global args may be -l # line labels by MPI rank -bnr # MPICH1 compatibility mode -machinefile # file mapping procs to machines -s -1 # override default of trying 1st proc locally -ifhn # network interface to use locally -tv # run procs under totalview (must be installed) -tvsu # totalview startup only -gdb # run procs under gdb -m # merge output lines (default with gdb) -a # means assign this alias to the job -ecfn # output_xml_exit_codes_filename -recvtimeout -g and local args may be -n -wdir -umask -path -host -soft -arch -envall # pass all env vars in current environment -envnone # pass no env vars -envlist
-env mpiexec [global args] [local args] executable args : [local args] executable... mpiexec -gdba jobid # gdb-attach to existing jobid mpiexec -configfile filename # filename contains cmd line segs as lines (See User Guide for more details) Examples: mpiexec -l -n 10 cpi 100 mpiexec -genv QPL_LICENSE 4705 -n 3 a.out mpiexec -n 1 -host foo master : -n 4 -host mysmp slave ------------------------------------------------------------------------------------------------------------------- 不知道有沒有朋友遇到過這種情況,多多幫忙。服務(wù)器不能并行等于沒用啊~~ PS:還有不管指不指定,都會出現(xiàn)如下的一段提示: /home/ybl/Accelrys/MaterialsStudio50/share/bin/runMSserver.sh: eval: line 3: syntax error near unexpected token `(' /home/ybl/Accelrys/MaterialsStudio50/share/bin/runMSserver.sh: eval: line 3: `LD_LIBRARY_PATH=/home/ybl/Accelrys/MaterialsStudio50//lib:/home/ybl/Accelrys/MaterialsStudio50//lib/32:/opt/intel/cce/10.1.018/lib:/opt/intel/fce/10.1.018/lib; export LD_LIBRARY_PATH; OMP_NUM_THREADS=1; export OMP_NUM_THREADS; F_UFMTENDIAN=big; export F_UFMTENDIAN; MPI_VER=mpiexec_saammsg.zju.edu: cannot connect to local mpd (/tmp/mpd2.console_ybl); possible causes:; export MPIVER; MPI_ROOT=/usr/local; export MPI_ROOT; MPI_COMMAND="/usr/local/bin/mpirun -e MPI_REMSH=/usr/bin/ssh -prot -f APPFILE "; export MPI_COMMAND; GATEWAY_TMP="/home/ybl/tmp"; export GATEWAY_TMP; ulimit -Ss unlimited;' 望高手指點,不勝感激! |
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