Thursday, September 12 2024 06:02:56
UNRES
87.82s| 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 1
nodes 2 rank 0
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
indpdb= 0 pdbref= T
ns= 0
Processor 1 1 1 ivec_start 11 ivec_end
21
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 ] 0.490092039108276 order[
2 ] 2.45298719406128 order[ 3 ]
Total wall clock time 84.8047480583191 sec
Processor 0 BROADCAST time 0.557822942733765 REDUCE time
4.39144611358643 GATHER time 0.000000000000000E+000 SCATTER time
0.966799974441528 SENDRECV 0.000000000000000E+000 BARRIER ene
2.00404739379883 BARRIER grad 0.487010955810547
1.29153060913086 order[ 4 ] 7.50583887100220 order[
5 ] 0.000000000000000E+000 order[ 6 ]
0.000000000000000E+000 order[ 7 ] 0.355218410491943 order[
8 ] 0.000000000000000E+000 order[ 9 ]
39.0222415924072 order[ 10 ] 1.468658447265625E-004 order[
11 ] 0.000000000000000E+000 order[ 12 ]
-2.929697047764704E-002
CG processor 0 is finishing work.
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
