1.30s
Test: UNRES_M_MIN_prota
(Failed)
Build: homology Linux-gfortan-MPI E0LL2Y
(dell15)
on 2020-02-11 03:25:03
Repository revision: 855057911aaa7d3d083c300f4a9b1e7323f5d7da
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"
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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
45 46 47
1.9750000000000014 -2.0169999999999995
45 46 47
3.1690000000000000 0.43400000000000016
just before leave
-0.87200000000000000 -3.2160000000000002
45 46 47
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
0.0000000000000000 0.0000000000000000
2 3 4
0.91500000000000004 -1.5520000000000000
2 3 4
2 3 4
-1.5579999999999998 2.7590000000000003
just before leave
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 790.37179726355157
refstr= T
after hairpin
after secondary
Processor 1 CG group 0 absolute rank 1 leves ERGASTULUM.
Total wall clock time 1.2037830352783203 sec
Processor 1 wait times for respective orders order[ 0 ] 1.2764215469360352E-002 order[ 1 ] 5.3862810134887695E-002 order[ 2 ] 2.3288220655050132E-310 order[ 3 ] 2.3288220561682594E-310 order[ 4 ] 0.0000000000000000 order[ 5 ] 6.9528499733494339E-310 order[ 6 ] 2.3288228978787504E-310 order[ 7 ] 0.26467943191528320 order[ 8 ] 2.3288228989091737E-310 order[ 9 ] 2.0595683258875225E-316 order[ 10 ] 6.9528499733620820E-310
Processor 0 BROADCAST time 1.6648769378662109E-003 REDUCE time 9.2356204986572266E-003 GATHER time 0.0000000000000000 SCATTER time 0.0000000000000000 SENDRECV 0.0000000000000000 BARRIER ene 1.1677742004394531E-003 BARRIER grad 9.9468231201171875E-004
CG processor 0 is finishing work.
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 .756300, ene= -159.488400
WARNING: energy is somewhat different .756300, ene= -159.488400