Wednesday, June 26 2024 03:41:28
UNRES
52.85s| Temperature distribution 1L2Y_L | File /tmp/cdash/homology/build/source/unres/src_MD/1L2Y_L_GB000.stat.png not found |
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nodes 2 rank 0
nodes 2 rank 1
Processor 0 out of 2 rank in CG_COMM 0
size of CG_COMM 1 size of FG_COMM 2 rank in FG_COMM1
Processor 1 out of 2 rank in FG_COMM 1
size of FG_COMM 2 rank in FG_COMM1 1 size of FG_COMM1
2
0 size of FG_COMM1 2
Inside initializeInside initialize thetname_pdb
/tmp/cdash/homology/source/PARAM/thetaml.5parm
thetname_pdb
/tmp/cdash/homology/source/PARAM/thetaml.5parm
51 opened
51 opened
MPI: node= 0 iseed= -3059742
ns= 0
Processor 1 1 1 ivec_start 11 ivec_end
21
indpdb= 0 pdbref= T
Call Read_Bridge.
ns= 0
Processor 0 0 0 ivec_start 1 ivec_end
10
Processor 1 CG group 0 absolute rank 1
leves ERGASTULUM.
Processor 1 wait times for respective orders order[ 0 ]
0.000000000000000E+000 order[ 1 ] 0.619377613067627 order[
Total wall clock time 52.6734349727631 sec
Processor 0 BROADCAST time 0.634653568267822 REDUCE time
5.51907205581665 GATHER time 0.000000000000000E+000 SCATTER time
2 ] 2.36219739913940 order[ 3 ]
1.37908530235291 order[ 4 ] 7.75156593322754 order[
5 ] 0.000000000000000E+000 order[ 6 ]
0.000000000000000E+000 order[ 7 ] 0.417089700698853 order[
8 ] 0.000000000000000E+000 order[ 9 ]
2.03006291389465 order[ 10 ] 3.480911254882812E-005 order[
11 ] 0.000000000000000E+000 order[ 12 ]
1.31397795677185 SENDRECV 0.000000000000000E+000 BARRIER ene
3.04061031341553 BARRIER grad 0.756999015808105
CG processor 0 is finishing work.
-2.929697047764704E-002
File "./matplotlib_fit_hist.py", line 44
print '%15.10f' % chi_squared
^
SyntaxError: Missing parentheses in call to 'print'. Did you mean print('%15.10f' % chi_squared)?
Chi2 for fitting theoretical temperature distribution
(standard_in) 1: syntax error
./prota_unres_energy_check.sh: line 83: [: !=: unary operator expected
