def submit(qjobname,ncore,infile,amp_job,nHL,elimit,flimit,mem,ntotal,ntr,ntype,nlist):
pwd = os.getcwd()
str_hl = " ".join(str(x) for x in nHL)
#if yes_or_no("run ?"):
#jobdir = make_dir(nHL, elimit)
if elimit == 0.0:
elimit=int(elimit)
if flimit == 0.0:
flimit=int(flimit)
### Make directory name!!
#jobdir = 'HL'+list2str(nHL)+'E'+str(elimit)+'F'+str(flimit)
jobdir = 'NC' + str(ncore) + 'HL'+list2str(nHL)+'E'+str(elimit)+'F'+str(flimit)
if jobdir in os.listdir(pwd):
print(f"{jobdir} exists")
if yes_or_no("continue ?"):
pass
else:
sys.exit(1)
else:
com = f"will you make {jobdir}?"
if yes_or_no(com):
os.mkdir(jobdir)
print(f"{jobdir} was made")
new_dir = pwd + "/" + jobdir
### cd directory
os.chdir(f"{new_dir}")
for amp_dir in amp_db:
os.system(f"ln -s {pwd}/{amp_dir} {new_dir}/{amp_dir}")
#os.system(f"cp {pwd}/OUTCAR {new_dir}")
print("amp- directories and OUTCAR were copied")
else:
print("exit")
sys.exit(10)
comm = f"qsub -N {qjobname}"
comm += f" -pe numa {ncore} -l mem={mem} -v fname={infile} -v pyjob={amp_job} -v hl=\"{str_hl}\" -v el={elimit} -v fl={flimit} -v nc={ncore}"
comm += " -v ndata=" + ' '.join(ntotal)
comm += f" -v dtype={ntype} "
comm += " -v dlist='" + ' '.join(nlist) + "'"
comm += " $SB/pypbs/sge_amp.csh"
str1 = f"will you run: \n{comm}"
if yes_or_no(str1):
os.system(comm)
### Recover original directory
os.chdir(f"{pwd}")
return 0
def get_qname_app(queue_default, hlist):
qname = queue_default+'HL'+list2str(hlist)
return qname
def get_qname(queue_default, hlist):
if queue_default == 'amp':
qname = queue_default+'HL'+list2str(hlist)
else:
qname = queue_default
return qname
def get_qname_suff(queue_default, *hlist):
qname = queue_default + 'HL' + list2str(hlist)
return qname