0.74s
Test: UNRES_ss_static_min
(Passed)
Build: homology Linux-ifort-MPI E0LL2Y
(dell15)
on 2023-05-29 04:01:06
Repository revision: e5301131661f6c05ad36e8aceadd77d37334772a
Show Command Line/bin/sh "/tmp/cdash/homology/build/source/unres/src_MD/test_mpi_E0LL2Y.sh" "1ei0_min" "1" "2"
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Test outputCTEST_FULL_OUTPUT
Bye Bye...
Bye Bye...
nodes 2 rank 0
nodes 2 rank 1
Processor 0 out of 2 rank in CG_COMM 0
size of CG_COMM 2 size of FG_COMM 1 rank in FG_COMM1
0 size of FG_COMM1 1
Processor 1 out of 2 rank in CG_COMM 1
size of CG_COMM 2 size of FG_COMM 1 rank in FG_COMM1
0 size of FG_COMM1 1
Inside initializeInside initialize thetname_pdb
/tmp/cdash/homology/source/PARAM/thetaml.5parm
51 opened
thetname_pdb
/tmp/cdash/homology/source/PARAM/thetaml.5parm
51 opened
MPI: node= 0 iseed= -1111332
MPI: node= 1 iseed= -2222665
indpdb= 25 pdbref= T
indpdb= 25 pdbref= T
Call Read_Bridge.
ns= 4
Call Read_Bridge.
ns= 4
Processor 0 0 0 ivec_start 1 ivec_end
39
Processor 1 0 0 ivec_start 1 ivec_end
39
SUMSL return code is 8 eval 512
# eval/s 1662.35906455111
refstr= T
SUMSL return code is 8 eval 512
# eval/s 1640.85743037095
refstr= T
CG processor 0 is finishing work.
CG processor 1 is finishing work.
initial energy=134.838 reference=134.8382
SUMSL return code 8
ERROR = SUMSL return code 8 is not 4
but not failing this test, it is known problem with dissulfides
OK: absdiff= 6.301200, ene= -145.020600
