2.21s
Test: UNRES_M_MIN_prota
(Failed)
Build: homology Linux-gfortan-MPI E0LL2Y
(dell15)
on 2023-05-09 03:25:06
Repository revision: e5301131661f6c05ad36e8aceadd77d37334772a
Show Command Line/users/local/mpich2-1.4.1p1_gnu/bin/mpiexec "-np" "2" "/tmp/cdash/homology/build/source/unres/src_MD-M/test_prota_E0LL2Y.sh" "prota_MIN_CART" "2"
Show Test Time Graph
Show Failing/Passing Graph
Test outputCTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
MPI: node= 0 iseed= -3059742
indpdb= 25 pdbref= T
0.0000000000000000 0.0000000000000000
45 46 47
1.9750000000000014 -2.0169999999999995
45 46 47
-0.87200000000000000 -3.2160000000000002
45 46 47
0.0000000000000000 0.0000000000000000
3.1690000000000000 0.43400000000000016
45 46 47
just before leave
0.0000000000000000 0.0000000000000000
2 3 4
1.9750000000000014 -2.0169999999999995
45 46 47
0.91500000000000004 -1.5520000000000000
-0.87200000000000000 -3.2160000000000002
2 3 4
45 46 47
3.3159999999999998 2.1159999999999997
2 3 4
-1.5579999999999998 2.7590000000000003
just before leave
3.1690000000000000 0.43400000000000016
just before leave
0.0000000000000000 0.0000000000000000
2 3 4
0.91500000000000004 -1.5520000000000000
2 3 4
3.3159999999999998 2.1159999999999997
2 3 4
-1.5579999999999998 2.7590000000000003
just before leave
ns= 0
Call Read_Bridge.
ns= 0
dc -1.8521036991148909
dc -1.8521036991148909 -0.27399709316174381 1.2579789626266946
after etotal
after hairpin
after secondary
Calling MINIM_DC
SUMSL return code is 8 eval 901
# eval/s 455.04545965749503
refstr= T
after hairpin
after secondary
Processor 1 CG group 0 absolute rank 1 leves ERGASTULUM.
Total wall clock time 2.0974271297454834 sec
Processor 0 BROADCAST time 3.5107135772705078E-003 REDUCE time 1.9914627075195312E-002 GATHER time 0.0000000000000000 SCATTER time 0.0000000000000000 SENDRECV 0.0000000000000000 BARRIER ene 3.0174255371093750E-003 BARRIER grad 1.6930103302001953E-003
CG processor 0 is finishing work.
Processor 1 wait times for respective orders order[ 0 ] 2.4175882339477539E-002 order[ 1 ] 8.5519552230834961E-002 order[ 2 ] 2.3397693056920866E-310 order[ 3 ] 2.3397692962916972E-310 order[ 4 ] 0.0000000000000000 order[ 5 ] 6.9525751612373595E-310 order[ 6 ] 2.3397701380021881E-310 order[ 7 ] 0.45669412612915039 order[ 8 ] 2.3397701390326114E-310 order[ 9 ] 2.0595683258875225E-316 order[ 10 ] 6.9525751612500076E-310
STOP Bye Bye...
STOP Bye Bye...
SUMSL return code 8
ERROR = SUMSL return code 8 is not 4
SUMSL return code 8
ERROR = SUMSL return code 8 is not 4
WARNING: energy is somewhat different 6.145300, ene= -152.586800
WARNING: energy is somewhat different 6.145300, ene= -152.586800