def submitjob(self, prog, args, dirpath, Nproc=None, wtime=None):
if Nproc is None:
Nproc = self.Nproc
if wtime is None:
wtime = self.wtime
if self.paral == self.paral_modes.get("OMP"):
os.environ["OMP_NUM_THREADS"] = str(Nproc)
progargs = []
jobname = str(dirpath)
progargs.append("-n")
progargs.append(str(Nproc))
progargs.append("-W")
progargs.append(str(wtime))
progargs.append("-J")
progargs.append(jobname)
if Nproc > 1 and self.paral == self.paral_modes.get("OMP"):
progargs.append("-R")
progargs.append("span[ptile=" + str(Nproc) + "]")
if Nproc > 1 and self.paral == self.paral_modes.get("MPI"):
progargs.append("mpirun")
progargs.append(prog)
[progargs.append(a) for a in args]
with open(dirpath + "/err.log", 'w') as errfile:
with open(dirpath + "/out.log", 'w') as outfile:
proc = su.dispatch(self.subcommand,
progargs,
dirpath,
errfile=errfile,
outfile=outfile)
self.procinfo.append([proc.pid, jobname])
return proc
def getMerit(self, structure, path):
'''Returns the merit function evaluated for the Structure structure,
with base path "path".
'''
path = path + "/" + structure.dirname
try:
if self.merit == self.merits["Elase"]:
proc = su.dispatch('tail', ['-n', '1', self.resultfile], path)
[output, _] = proc.communicate()
output = output.split()
return abs(float(output[2]) - float(self.target))
elif self.merit == self.merits["max gain"]:
gain = []
[gain.append(float(l[2])) for l in structure.results]
return max(gain)
elif self.merit == self.merits["wall plug efficiency"]:
wp = []
if structure.results == "ERROR":
return "ERROR"
[wp.append(float(l[5])) for l in structure.results]
return max(wp)
else:
print("Merit function " + str(self.merit) +
"not implemented yet!")
return "ERROR"
# Catch index errors arising from sewlab failing
except (IndexError):
return "ERROR"
def jobstatus(self, proc):
for info in self.procinfo:
if info[0] == proc.pid:
jobname = info[1]
p = su.dispatch("bjobs", ["-J", jobname], errfile=subprocess.PIPE)
out = p.communicate()
if ("not found" in out[1]) and (proc.poll() != None):
dbg.debug("process ended!")
return False
else:
return True
def submitjob(self, prog, args, dirpath, Nproc=None, wtime=None):
if Nproc is None:
Nproc = self.Nproc
progargs = []
progargs.append("-np")
progargs.append(str(Nproc))
progargs.append(prog)
[progargs.append(a) for a in args]
proc = su.dispatch("mpirun", progargs, dirpath)
return proc
def run_sewself(self, structure, spath, inputs=None):
'''Run sewself for given structure and structure path (spath)
inputs (Optional): List of sting of commands to be executed (a-w)
'''
commands = ""
if inputs is None:
inputs = self.commands
for c in inputs:
if c[0] == 'a':
commands += "a\n" + c[1] + "\n" + c[2] + \
"\n" + c[3] + "\n"
elif c[0] == 'b':
commands += "b\n"
commands += str(self.numpar.get('Tlattice')) + "\n"
commands += str(self.numpar.get('Te')) + "\n"
elif c[0] == 'c':
commands += "c\n"
elif c[0] == 'd':
commands += "d\n"
elif c[0] == 'e':
commands += "e\n" # compute self-consitent potential
commands += str(self.numpar.get('Tlattice')) + "\n"
commands += str(self.numpar.get('Te')) + "\n"
elif c[0] == 'f':
commands += "f\n"
elif c[0] == 'g':
commands += "g\n"
commands += str(self.numpar.get('Te')) + "\n"
else:
print("WARNING: Option " + c[0] + \
" not implemented in Isewself!")
commands += "q\n^C\n"
dbg.debug("Running sewself:", callclass=self)
dbg.flush()
proc = su.dispatch(self.sewself, [],
spath,
infile=subprocess.PIPE,
outfile=subprocess.PIPE,
errfile=subprocess.PIPE)
dbg.debug("Communicating sewself: \n" + commands, callclass=self)
dbg.flush()
out, err = proc.communicate(commands)
structure.output = out
def submitandwait(self, prog, args, dirpath):
proc = su.dispatch(prog, args, dirpath)
while proc.poll() == None:
time.sleep(0.1)
return proc
def submitjob(self, prog, args, dirpath, Nproc=None, wtime=None):
proc = su.dispatch(prog, args, dirpath)
return proc
def run_buildmatself(self, structure, spath):
su.dispatch(self.buildmatself, [self.structfilename], spath)