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byin

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[交流] 【求助】MS在Linux下的并行计算问题已有5人参与

先在win下生成计算castep所需的文件，param和cell，导入Linux系统。

在计算的时候，如果不指定cpu的个数，直接“./RunCastep.sh name”，就能计算。
生成的std_out.txt显示：
Checked out license feature: MS_castep [for Unavailable] (1 copy)

但是如果指定个数，例如，“./RunCastep.sh -np 4 name”，就会出错，算不了。
生成的std_out.txt显示：
-------------------------------------------------------------------------------------------------------------------
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                   # direct stdin to "all" or 1,2 or 2-4,6
   -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 # timeout for recvs to fail (e.g. from mpd daemon)
   -g          # global version of local arg (below)
and local args may be
   -n or -np          # number of processes to start
   -wdir             # working directory to start in
   -umask             # umask for remote process
   -path             # place to look for executables
   -host          # host to start on
   -soft                # modifier of -n value
   -arch                # arch type to start on (not implemented)
   -envall                   # pass all env vars in current environment
   -envnone                   # pass no env vars
   -envlist # pass current values of these vars
   -env       # pass this value of this env var
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
-------------------------------------------------------------------------------------------------------------------

不知道有没有朋友遇到过这种情况，多多帮忙。服务器不能并行等于没用啊~~

PS：还有不管指不指定，都会出现如下的一段提示：
/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;'

望高手指点，不胜感激！

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