etoh cherry merge correction
authorCezary Czaplewski <czarek@chem.univ.gda.pl>
Sat, 26 Aug 2017 13:58:37 +0000 (15:58 +0200)
committerCezary Czaplewski <czarek@chem.univ.gda.pl>
Sat, 26 Aug 2017 13:58:37 +0000 (15:58 +0200)
django_simple/todo/jobfiles.py
files/pbs8.csh

index 3fc077f..2b16ba3 100644 (file)
@@ -226,9 +226,9 @@ CUTOFF=7.00000 WCORR4=0.00000
       ret_code = subprocess.Popen(' /opt/torque/bin/qsub pbs.csh', shell=True, stdout=subprocess.PIPE, stderr=subprocess.STDOUT)      
       os.chdir('..')
      else:
+# instance.type == 'remd'
       tmp1=json.loads(instance.remd_multi_m)
       nreplicas=sum(map(int, tmp1))
-      
 # hardcoded for 4 core nodes with FGPROC=2
       nodes=int(nreplicas*2/4)
       reszta = nreplicas*2-nodes*4
index ae80fd0..558822e 100755 (executable)
@@ -53,7 +53,7 @@ else
  tail -q -n +$line file_GB*.stat |  awk '{if ( NF == 10 ) print}' >remd_all.stat
  cat file_GB*.stat |awk '{if ( NF == 10 ) print}' > remd_all0.stat
 endif
-../../files/matplotlib_hist.py $temperatures
+../files/matplotlib_hist.py $temperatures
 rm remd_all.stat remd_all0.stat
 
 #CLUSTER WHAM