Friday, September 20 2024 09:35:58
UNRES
84.13s| 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
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
size of CG_COMM 1 size of FG_COMM 2 rank in FG_COMM1
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
Call Read_Bridge.
ns= 0
Processor 0 0 0 ivec_start 1 ivec_end
10
Processor 1 1 1 ivec_start 11 ivec_end
21
Total wall clock time 83.5062720775604 sec
Processor 0 BROADCAST time 1.18455243110657 REDUCE time
7.89425349235535 GATHER time 0.000000000000000E+000 SCATTER time
1.98663568496704 SENDRECV 0.000000000000000E+000 BARRIER ene
3.17203116416931 BARRIER grad 0.932410717010498
CG processor 0 is finishing work.
Processor 1 CG group 0 absolute rank 1
leves ERGASTULUM.
Processor 1 wait times for respective orders order[ 0 ]
0.000000000000000E+000 order[ 1 ] 0.929273605346680 order[
2 ] 3.32198762893677 order[ 3 ]
1.92315745353699 order[ 4 ] 12.3024399280548 order[
5 ] 0.000000000000000E+000 order[ 6 ]
0.000000000000000E+000 order[ 7 ] 0.588450431823730 order[
8 ] 0.000000000000000E+000 order[ 9 ]
5.74090814590454 order[ 10 ] 6.294250488281250E-005 order[
11 ] 0.000000000000000E+000 order[ 12 ]
-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
