Friday, September 20 2024 21:29:25
UNRES
61.27s| Temperature distribution 1L2Y_B | File /tmp/cdash/homology/build/source/unres/src_MD/1L2Y_B_GB000.stat.png not found |
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CTEST_FULL_OUTPUT
STOP Bye Bye...
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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 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 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
Processor 1 CG group 0 absolute rank 1 leves ERGASTULUM.
Processor 1 wait times for respective orders order[ 0 ] 0.0000000000000000 order[ 1 ] 0.48835182189941406 order[ 2 ] 2.6670427322387695 order[ 3 ] 1.6698923110961914 order[ 4 ] 8.3303186893463135 order[ 5 ] 0.0000000000000000 order[ 6 ] 0.0000000000000000 order[ 7 ] 1.9077463150024414 order[ 8 ] 0.0000000000000000 order[ 9 ] 0.0000000000000000 order[ 10 ] 0.0000000000000000 order[ 11 ] 6.9528588703057206E-310 order[ 12 ] 2.3384430319985204E-310
Total wall clock time 61.197060108184814 sec
Processor 0 BROADCAST time 0.33806061744689941 REDUCE time 3.4876346588134766 GATHER time 0.0000000000000000 SCATTER time 0.50178718566894531 SENDRECV 0.0000000000000000 BARRIER ene 2.4517059326171875 BARRIER grad 0.48630833625793457
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 98: [: !=: unary operator expected
