86.55s
Test: UNRES_Berendsen
(Passed)
Build: homology Linux-gfortan-MPI E0LL2Y
(dell15)
on 2023-12-16 03:25:06
Repository revision: e5301131661f6c05ad36e8aceadd77d37334772a
Temperature distribution 1L2Y_B | File /tmp/cdash/homology/build/source/unres/src_MD/1L2Y_B_GB000.stat.png not found |
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Show Command Line/bin/sh "/tmp/cdash/homology/build/source/unres/src_MD/test_mpi_E0LL2Y.sh" "1L2Y_B" "2" "2"
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Test outputCTEST_FULL_OUTPUT
STOP Bye Bye...
STOP Bye Bye...
nodes 2 rank 1
nodes 2 rank 0
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 ns= 0
Processor 1 1 1 ivec_start 11 ivec_end 21
MPI: node= 0 iseed= -3059742
indpdb= 0 pdbref= T
Call Read_Bridge.
ns= 0
Processor 0 0 0 ivec_start 1 ivec_end 10
Processor 1 CG group 0 absolute rank 1 leves ERGASTULUM.
Total wall clock time 86.457880020141602 sec
Processor 1 wait times for respective orders order[ 0 ] 0.0000000000000000 order[ 1 ] 0.74488639831542969 order[ 2 ] 4.2150518894195557 order[ 3 ] 2.2695488929748535 order[ 4 ] 13.197095870971680 order[ 5 ] 0.0000000000000000 order[ 6 ] 0.0000000000000000 order[ 7 ] 2.7426819801330566 order[ 8 ] 0.0000000000000000 order[ 9 ] 0.0000000000000000 order[ 10 ] 0.0000000000000000 order[ 11 ] 6.9530217244270626E-310 order[ 12 ] 2.3575250196926787E-310
Processor 0 BROADCAST time 0.54149103164672852 REDUCE time 4.8476710319519043 GATHER time 0.0000000000000000 SCATTER time 0.62949490547180176 SENDRECV 0.0000000000000000 BARRIER ene 0.77432155609130859 BARRIER grad 0.47818875312805176
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