Friday, November 01 2024 18:24:04
UNRES
21.32s| Temperature distribution 1L2Y_NH | File /tmp/cdash/build/source/unres/src_MD/1L2Y_NH_GB000.stat.png not found |
|---|---|
| Processors | [Graph]1 |
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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/source/PARAM/thetaml.5parm
51 opened
thetname_pdb
/tmp/cdash/source/PARAM/thetaml.5parm
51 opened
MPI: node= 0 iseed= -3059742
indpdb= 0 pdbref= T
Call Read_Bridge.
ns= 0
Processor 0 0 0 ivec_start 1 ivec_end
10
ns= 0
Processor 1 1 1 ivec_start 11 ivec_end
21
Total wall clock time 21.2601840496063 sec
Processor 0 BROADCAST time 0.352354526519775 REDUCE time
1.59620451927185 GATHER time 0.000000000000000E+000 SCATTER time
0.155947208404541 SENDRECV 0.000000000000000E+000 BARRIER ene
0.167343854904175 BARRIER grad 0.291899681091309
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 ]
0.691689491271973 order[ 1 ] 0.287400245666504 order[
2 ] 0.000000000000000E+000 order[ 3 ]
0.000000000000000E+000 order[ 4 ] 1.86408066749573 order[
5 ] 0.000000000000000E+000 order[ 6 ]
0.000000000000000E+000 order[ 7 ] 1.49347066879272 order[
8 ] 0.000000000000000E+000 order[ 9 ]
0.000000000000000E+000 order[ 10 ] 0.000000000000000E+000
Traceback (most recent call last):
File "./matplotlib_fit_hist.py", line 3, in <module>
import matplotlib
ImportError: No module named matplotlib
Chi2 for fitting theoretical temperature distribution
(standard_in) 1: syntax error
./prota_unres_energy_check.sh: line 83: [: !=: unary operator expected
