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bugfix when parsing mpirun

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This commit is contained in:
dstelter92
2016-11-22 12:13:20 -05:00
parent ae70f1090f
commit d58dd4f159
1 changed files with 1 additions and 2 deletions
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3
examples/USER/misc/grem/lj-6rep/double-re-short.py
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@ -51,7 +51,7 @@ for exchange in arange(starting_ex,max_exchange):
os.chdir(path+"/%s" % lambdas[l])
#os.system("cp restart_file restart_file%d" % exchange)
if (nproc > 1):
os.system("mpirun -np %d " + lmp + " -in ../" + inp + " -var lambda %g -var eta %g -var enthalpy %g > output" % (nproc, lambdas[l], eta, H))
os.system("mpirun -np %d " % (nproc) + lmp + " -in ../" + inp + " -var lambda %g -var eta %g -var enthalpy %g > output" % (lambdas[l], eta, H))
if (nproc == 1):
os.system(lmp + " -in ../" + inp + " -var lambda %g -var eta %g -var enthalpy %g > output" % (lambdas[l], eta, H))
os.system("grep -v '[a-zA-Z]' output | awk '{if(NF==6 && NR>19)print $0}' | awk '{print $3}' >ent")
@ -60,7 +60,6 @@ for exchange in arange(starting_ex,max_exchange):
aver_enthalpy[l] = mean(ee[-1])
# os.system("mv dump.dcd dump%d.dcd" % exchange)
os.system("mv log.lammps log%d.lammps" % exchange)
# os.system("rm output")
os.system("mv final_restart_file final_restart_file%d" % exchange)
os.system("mv ent ent%d" % exchange)
os.system("bzip2 log%d.lammps ent%d" % (exchange,exchange))