Thursday, September 19 2024 19:20:55
UNRES
93.31s| 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...
STOP Bye Bye...
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.
Total wall clock time 93.189824104309082 sec
Processor 0 BROADCAST time 0.53927016258239746 REDUCE time 5.9082968235015869 GATHER time 0.0000000000000000 SCATTER time 0.66630935668945312 SENDRECV 0.0000000000000000 BARRIER ene 5.2800261974334717 BARRIER grad 0.75593590736389160
CG processor 0 is finishing work.
Processor 1 wait times for respective orders order[ 0 ] 0.0000000000000000 order[ 1 ] 0.70337986946105957 order[ 2 ] 3.5901901721954346 order[ 3 ] 2.1727464199066162 order[ 4 ] 12.297863245010376 order[ 5 ] 0.0000000000000000 order[ 6 ] 0.0000000000000000 order[ 7 ] 4.3088297843933105 order[ 8 ] 0.0000000000000000 order[ 9 ] 0.0000000000000000 order[ 10 ] 0.0000000000000000 order[ 11 ] 6.9530869491357023E-310 order[ 12 ] 2.3576088119108130E-310
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
