def ask(optype):
ret = False
ans = gen_partition.raw_input_save( \
'\n compute ' + optype + '? Y/N (default: No) : ')
if len(ans) > 0:
if ans[0] == 'Y' or ans[0] == 'y': ret = True
if ans[0] == 'N' or ans[0] == 'n': ret = False
return ret
def main_nuclide(fn_snt):
print
print
print '*************** specify a nuclide ********************'
print
nf = gen_partition.raw_input_save(
'\n number of valence protons and neutrons\n' +
' (ex. 2, 3 <CR>) <CR> to quit : ')
nf = nf.replace(',', ' ').split()
if len(nf) == 0: return ("", "", None)
if len(nf) == 1: nf.append(0)
nf = [int(nf[0]), int(nf[1])]
fn_base = fn_element(nf, fn_snt)
ans = gen_partition.raw_input_save("\n name for script file (default: " +
fn_base + " ): ")
ans = ans.strip()
if ans: fn_base = ans
print "\n J, parity, number of lowest states "
print " (ex. 10 for 10 +parity, 10 -parity states w/o J-proj. (default)"
print " -5 for lowest five -parity states, "
print " 0+3, 2+1 for lowest three 0+ states and one 2+ states, "
print " 1.5-, 3.5+3 for lowest one 3/2- states and three 7/2+ states) :"
ans = gen_partition.raw_input_save()
ans = ans.replace(',', ' ').split()
if not ans: ans = ['+10', '-10']
if len(ans) == 1 and ans[0].isdigit(): ans = ['+' + ans[0], '-' + ans[0]]
list_jpn = [split_jpn(a, nf) for a in ans]
for j, p, n, isp in list_jpn:
if (j + sum(nf)) % 2 != 0:
print "Remove states J,prty,Num=", j, p, n, isp
list_jpn = [a for a in list_jpn if (a[0] + sum(nf)) % 2 == 0]
list_prty = list(set(jpn[1] for jpn in list_jpn))
fn_ptn_list = {-1: fn_base + "_n.ptn", 1: fn_base + "_p.ptn"}
fn_input = fn_base + ".input"
for prty in list_prty:
fn_ptn = fn_ptn_list[prty]
if prty == 1: print "\n truncation for \"+\" parity state in ", fn_ptn
else: print "\n truncation for \"-\" parity state in ", fn_ptn
gen_partition.main(fn_snt, fn_ptn, nf, prty)
def main():
print "\n" \
+ "----------------------------- \n" \
+ " KSHELL user interface \n" \
+ " to generate job script. \n" \
+ "-----------------------------\n "
cdef = 'N'
global is_mpi
if is_mpi: cdef = is_mpi
if cdef == True: cdef = 'Y'
list_param = [
'coma', 'abel', 'stallo', 'fram', 'smaug', 'vilje', 'fx10',
'k-computer', 'yes', 'no'
]
readline.set_completer(SimpleCompleter(list_param).complete)
readline.parse_and_bind("tab: complete")
ans = gen_partition.raw_input_save('\n MPI parallel? Y/N (default: ' +
cdef + ') : ')
readline.parse_and_bind("tab: None")
if len(ans) > 0:
if ans[0] == 'Y' or ans[0] == 'y':
is_mpi = True
elif ans[0] == 'N' or ans[0] == 'n':
is_mpi = False
else:
is_mpi = ans
if is_mpi == 'coma':
print " ... generate shell script for MPI run on COMA/Tsukuba with SLURM "
elif is_mpi == 'fram':
print " ... generate shell script for MPI run on Fram@UiT with SLURM "
elif is_mpi == 'abel':
print " ... generate shell script for MPI run on Abel@UiO with SLURM "
elif is_mpi == 'k':
print " ... generate shell script for MPI run on K-computer micro with PJM"
elif is_mpi:
print " ... generate shell script for MPI run on K-computer/FX10 with PJM. "
else:
print " ... generate shell script for a single node."
list_snt = os.listdir( bindir+"/../snt/" ) \
+ [fn for fn in os.listdir(".") if len(fn)>4 and fn[-4:]==".snt"]
readline.parse_and_bind("tab: complete")
readline.set_completer(SimpleCompleter(list_snt).complete)
if is_mpi != False:
n_nodes = int(gen_partition.raw_input_save( \
"\n number of computer nodes (not cores) for MPI: "))
fn_snt = gen_partition.raw_input_save( \
"\n model space and interaction file name (.snt) \n" \
+ " (e.g. w or w.snt, TAB key to complete) : " )
readline.parse_and_bind("tab: None")
fn_snt = fn_snt.rstrip()
if fn_snt[-4:] != '.snt': fn_snt = fn_snt + '.snt'
if os.path.isfile(fn_snt):
pass
elif os.path.isfile(bindir + "/../snt/" + fn_snt):
shutil.copy(bindir + "/../snt/" + fn_snt, ".")
else:
print "\n*** ERROR: .snt file NOT found ***", fn_snt, "\n"
return
var_dict['fn_int'] = '"' + fn_snt + '"'
if check_cm_snt(fn_snt): var_dict['beta_cm'] = 10.0
if is_mpi: var_dict['mode_lv_hdd'] = 0
if fn_snt in ['w', 'w.snt']: var_dict['hw_type'] = 2
if fn_snt[:3] == 'usd' or fn_snt[:4] == 'sdpf' or fn_snt[:5] == 'GCLST':
var_dict['hw_type'] = 2
fn_run = ''
fn_snt_base = fn_snt[:-4]
outsh = ''
nuclides = []
fn_base_list = []
while True:
fn_base, out, detail = main_nuclide(fn_snt)
if not out: break
nuclides.append(detail)
fn_base_list.append(fn_base)
outsh += out
if fn_run:
if len(fn_run) > len(
fn_snt_base) and fn_run[-len(fn_snt_base):] == fn_snt_base:
fn_run = fn_run[:-len(fn_snt_base)]
else:
fn_run += '_'
fn_run += fn_base
if not fn_run:
print "\n*** NO input ***\n"
return
nflist = [nf for nf, list_jpn, fn_save_list in nuclides]
gt_pair, sfac_pair = [], []
for i1, nf1 in enumerate(nflist):
for i2, nf2 in enumerate(nflist):
if nf1[0] == nf2[0] + 1 and sum(nf1) == sum(nf2):
gt_pair.append((i1, i2))
if nf1[0] == nf2[0] + 1 and nf1[1] == nf2[1]:
sfac_pair.append((i1, i2))
if nf1[0] == nf2[0] and nf1[1] == nf2[1] + 1:
sfac_pair.append((i1, i2))
def ask(optype):
ret = False
ans = gen_partition.raw_input_save( \
'\n compute ' + optype + '? Y/N (default: No) : ')
if len(ans) > 0:
if ans[0] == 'Y' or ans[0] == 'y': ret = True
if ans[0] == 'N' or ans[0] == 'n': ret = False
return ret
isnot_asked = True
for i1, i2 in gt_pair:
fn_base1 = fn_base_list[i1]
fn_base2 = fn_base_list[i2]
fn_base = fn_base1
if len(fn_base) > len(
fn_snt_base) and fn_base[-len(fn_snt_base):] == fn_snt_base:
fn_base = fn_base[:-len(fn_snt_base)]
else:
fn_base += '_'
fn_base += fn_base2
fn_input = fn_base + ".input"
fn_save_list = nuclides[i1][2]
list_jpn1 = nuclides[i1][1]
list_jpn2 = nuclides[i2][1]
fn_save_list1 = nuclides[i1][2]
fn_save_list2 = nuclides[i2][2]
for i1, (m1, np1, ne1, isj1) in enumerate(list_jpn1):
for i2, (m2, np2, ne2, isj2) in enumerate(list_jpn2):
if (isj1 and m1 == 0) and (isj2 and m2 == 0): continue
if abs(m1 - m2) > 2: continue
if np1 != np2: continue
if isnot_asked:
isnot_asked = False
print '***********************************************'
is_gt = ask('GT transition')
if not is_gt: break
outsh += '# ----------- Gamow Teller transition '
outsh += '------------ \n'
outsh += 'echo \n'
outsh += 'echo "Gamow Teller transition calc."\n'
if not is_gt: break
outsh += output_transit(fn_base, fn_input, fn_save_list1,
fn_save_list2, (m1, np1, ne1, isj1),
(m2, np2, ne2, isj2))
isnot_asked = True
for i1, i2 in sfac_pair:
fn_base1 = fn_base_list[i1]
fn_base2 = fn_base_list[i2]
fn_base = fn_base1
if len(fn_base)> len(fn_snt_base) and \
fn_base[-len(fn_snt_base):] == fn_snt_base:
fn_base = fn_base[:-len(fn_snt_base)]
else:
fn_base += '_'
fn_base += fn_base2
fn_input = fn_base + ".input"
fn_save_list = nuclides[i1][2]
list_jpn1 = nuclides[i1][1]
list_jpn2 = nuclides[i2][1]
fn_save_list1 = nuclides[i1][2]
fn_save_list2 = nuclides[i2][2]
for i1, (m1, np1, ne1, isj1) in enumerate(list_jpn1):
for i2, (m2, np2, ne2, isj2) in enumerate(list_jpn2):
if (isj1 and m1 == 0) and (isj2 and m2 == 0): continue
if isnot_asked:
isnot_asked = False
is_sf = ask('one-particle spectroscopic factor')
if not is_sf: break
outsh += '# ----------- spectroscocpic factor ------------ \n'
outsh += 'echo \n'
outsh += 'echo "spectroscopic factor calc."\n'
if not is_sf: break
outsh += output_transit(fn_base, fn_input, fn_save_list1,
fn_save_list2, (m1, np1, ne1, isj1),
(m2, np2, ne2, isj2))
fn_run += ".sh"
def check_copy(*fns):
for fn in fns:
binfn = bindir + '/' + fn
if not os.path.exists(binfn):
print "\n*** WARNING: NOT found " + bindir + '/' + fn, " ***"
else:
try:
shutil.copy(binfn, '.')
except IOError:
print "\n*** WARNING: copy " + binfn \
+ " to current dir. failed ***"
# header
if is_mpi:
check_copy('kshell_mpi', 'transit_mpi', 'collect_logs.py')
if is_mpi == 'coma':
outsh = '#!/bin/sh \n' \
+ '#SBATCH -J ' + fn_run[:-3] + '\n' \
+ '#SBATCH -p normal\n' \
+ '#SBATCH -N ' + str(n_nodes) + '\n' \
+ '#SBATCH -n ' + str(n_nodes) + '\n' \
+ '# #SBATCH -t 01:00:00\n' \
+ '#SBATCH --cpus-per-task=16\n' \
+ '#SBATCH -o stdout\n' \
+ '#SBATCH -e stderr\n\n' \
+ 'export OMP_NUM_THREADS=16\n\n' \
+ 'module load mkl intel intelmpi/4.1.3 \n' \
+ 'cd ' + os.getcwd() +'\n\n' \
+ outsh
# cd $SLURM_SUBMIT_DIR
# export OMP_NUM_THREADS=16
print "\n Finish. edit and sbatch " + fn_run + "\n"
elif is_mpi == 'fram': # This option added by JEM. Slightly modified 'coma' option above.
outsh = '#!/bin/bash \n' \
+ '#SBATCH --job-name=' + fn_run[:-3] + ' \n' \
+ '#SBATCH --account=<insert account> \n' \
+ '#SBATCH --time=02-00:00:00 \n' \
+ '#SBATCH --nodes='+ str(n_nodes) + '\n' \
+ '#SBATCH --ntasks-per-node=1 \n' \
+ '#SBATCH --cpus-per-task=32 \n' \
+ 'module purge \n' \
+ 'module load intel/2017b \n' \
+ 'set -o errexit \n' \
+ 'set -o nounset \n' \
+ outsh
elif is_mpi == 'abel': # This option added by JEM. Slightly modified 'coma' option above.
outsh = '#!/bin/bash \n' \
+ '#SBATCH --job-name=' + fn_run[:-3] + '\n' \
+ '#SBATCH --account=uio\n' \
+ '#SBATCH --time=02-00:00:00\n' \
+ '#SBATCH --mem-per-cpu=3800\n' \
+ '#SBATCH -N ' + str(n_nodes) + '\n' \
+ '#SBATCH -n ' + str(n_nodes) + '\n' \
+ '#SBATCH --cpus-per-task=16\n\n' \
+ 'source /cluster/bin/jobsetup \n' \
+ 'module purge \n' \
+ 'module load intel/2018.1 \n' \
+ 'set -o errexit \n' \
+ 'export OMP_NUM_THREADS=16\n' \
+ 'ulimit -s unlimited\n' \
+ outsh
elif is_mpi == 'k':
outsh = '#!/bin/sh \n' \
+ '#PJM -L "rscgrp=micro"\n' \
+ '#PJM -L "node=' + str(n_nodes) + '"\n' \
+ '# #PJM -L "elapse=00:30:00"\n\n' \
+ '. /work/system/Env_base\n\n' \
+ 'cd ' + os.getcwd() +'\n\n' \
+ outsh
else:
outsh = '#!/bin/sh \n' \
+ '#PJM -L "rscgrp=debug"\n' \
+ '#PJM -L "node=' + str(n_nodes) + '"\n' \
+ '# #PJM -L "elapse=24:00:00"\n\n' \
+ 'cd ' + os.getcwd() +'\n\n' \
+ outsh
print "\n Finish. edit and pjsub ./" + fn_run + "\n"
else:
check_copy('kshell', 'transit', 'collect_logs.py')
outsh = '#!/bin/sh \n' \
+ '# export OMP_STACKSIZE=1g\n' \
+ 'export GFORTRAN_UNBUFFERED_PRECONNECTED=y\n' \
+ '# ulimit -s unlimited\n\n' \
+ outsh
print "\n Finish. Execute ./" + fn_run + "\n"
fp_run = open(fn_run, 'w')
fp_run.write(outsh)
fp_run.close()
if not is_mpi: os.chmod(fn_run, 0755)
fp = open('save_input_ui.txt', 'w')
fp.write(gen_partition.output_ans)
fp.close()
gen_partition.main(fn_snt, fn_ptn, nf, prty)
#-----------------------------------------------------
while True:
print "\n --- input parameter --- "
print print_var_dict(var_dict,
skip=('fn_int', 'fn_save_wave', 'n_eigen'))
ask = "modify parameter? \n" \
+ " (e.g. maxiter = 300 for parameter change\n" \
+ " <CR> for no more modification ) :\n"
list_param = [k + " = " for k in var_dict.keys()]
readline.set_completer(SimpleCompleter(list_param).complete)
readline.parse_and_bind("tab: complete")
ans = gen_partition.raw_input_save(ask)
readline.parse_and_bind("tab: None")
ans = ans.strip()
if not ans:
break
elif '=' in ans:
arr = ans.split('=')
arr = [a.strip() for a in arr]
if len(arr[1]) != 0:
var_dict[arr[0]] = arr[1]
else:
del var_dict[arr[0]]
else:
print "ILLEGAL INPUT"