Wednesday, September 11 2024 20:58:48
UNRES
41.10s| Temperature distribution 1L2Y_L | File /tmp/cdash/build/source/unres/src_MD/1L2Y_L_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
0 size of FG_COMM1 2
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
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 41.0209300518036 sec
Processor 0 BROADCAST time 0.470442533493042 REDUCE time
4.65223217010498 GATHER time 0.000000000000000E+000 SCATTER time
1.00663995742798 SENDRECV 0.000000000000000E+000 BARRIER ene
2.82049798965454 BARRIER grad 0.591025352478027
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 ] 0.557792901992798 order[
2 ] 0.843073606491089 order[ 3 ]
1.15353107452393 order[ 4 ] 6.60109639167786 order[
5 ] 0.000000000000000E+000 order[ 6 ]
0.000000000000000E+000 order[ 7 ] 0.409346580505371 order[
8 ] 0.000000000000000E+000 order[ 9 ]
1.79002928733826 order[ 10 ] 1.020431518554688E-004
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
