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wanglianli136铁杆木虫 (著名写手)
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[求助]
求助lsf集群上提交lammps任务的脚本
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谁有在lsf集群上并行lammps任务的脚本啊？请给我参考一下吧，谢谢 #!/bin/bash # Simple LSF script for submitting multiple parallel lammps jobs #------------------------------------------------------- #------------------------------------------------------- # # <------ Setup Parameters ------> # #BSUB -J chetanF #BSUB -n 4 #BSUB -N -u cmahajan@che.utexas.edu #BSUB -q normal #BSUB -o stdout.o%J #BSUB -e stderr.o%J #BSUB -W 2:00 # # Usage: # #BSUB -n # #BSUB -W [hours:]minutes to specify run time limit # #BSUB -J # #BSUB -q # #BSUB -o # NOTE: The macro %J encodes the job id. # cd $LS_SUBCWD set echo ibrun ./lmp_lonestar # lonestar = TACC Dell cluster SHELL = /bin/sh .IGNORE: # System-specific settings # NOTE: you may need to invoke (by entering in your job-submission script # or in your .cshrc file) # module load libraries/fftw-2.1.5-openmpi-1.1.2-ofed-intel-9.1 # before running LAMMPS. # # Additional Note: # Even when using the OpenMPI build 10.0, # DO NOT USE: module load libraries/fftw-2.1.5_openmpi-1.2.4_ofed_intel-10.0-f025-c025 # This build of FFTW exhibits fatal memory errors in long runs. FFTW = /apps/x86_64/libraries/fftw/openmpi-1.1.2-ofed-intel-9.1/fftw-2.1.5 CC = mpicxx CCFLAGS = -O -DFFT_FFTW -I${TACC_FFTW2_INC} DEPFLAGS = -M LINK = mpicxx LINKFLAGS = -O -L${TACC_FFTW2_LIB} USRLIB = -lfftw -lstdc++ SYSLIB = -lm SIZE = size # Link rule $(EXE): $(OBJ) $(LINK) $(LINKFLAGS) $(OBJ) $(USRLIB) $(SYSLIB) -o $(EXE) $(SIZE) $(EXE) # Library target lib: $(OBJ) $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) # Compilation rules %.o:%.cpp $(CC) $(CCFLAGS) -c $< %.d:%.cpp $(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@ # Individual dependencies DEPENDS = $(OBJ:.o=.d) include $(DEPENDS) |
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