Friday, November 01 2024 06:36:07
UNRES
1.09s| Processors | [Graph]1 |
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CTEST_FULL_OUTPUT
forrtl: severe (104): incorrect POSITION= specifier value for connected file, unit 8, file /tmp/cdash/homology/build/source/unres/src_MD/1ei0_min_GB000.int
Image PC Routine Line Source
unresMD_ifort_MPI 00000000005B27A0 Unknown Unknown Unknown
unresMD_ifort_MPI 00000000005C95A4 Unknown Unknown Unknown
unresMD_ifort_MPI 0000000000451427 Unknown Unknown Unknown
unresMD_ifort_MPI 0000000000517058 Unknown Unknown Unknown
unresMD_ifort_MPI 0000000000404BA2 Unknown Unknown Unknown
libc-2.31.so 00007FDC07F7C083 __libc_start_main Unknown Unknown
unresMD_ifort_MPI 0000000000404AAE Unknown Unknown Unknown
Bye Bye...
nodes 1 rank 0
Processor 0 out of 1 rank in CG_COMM 0
size of CG_COMM 1 size of FG_COMM 1 rank in FG_COMM1
0 size of FG_COMM1 1
Inside initialize nodes 1 rank 0
Processor 0 out of 1 rank in CG_COMM 0
size of CG_COMM 1 size of FG_COMM 1 rank in FG_COMM1
0 size of FG_COMM1 1
Inside 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= 0 iseed= -1111332
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 0 0 0 ivec_start 1 ivec_end
39
SUMSL return code is 8 eval 512
# eval/s 2134.30921954510
refstr= T
SUMSL return code is 8 eval 512
# eval/s 2102.90979258348
refstr= T
CG processor 0 is finishing work.
===================================================================================
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= RANK 0 PID 651549 RUNNING AT dell15
= EXIT STATUS: 104
===================================================================================
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
