Wednesday, September 18 2024 01:06:07
UNRES
6.40s| Exit Value | 2 |
|---|
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CTEST_FULL_OUTPUT
[dell15:188619] [[16506,0],0] ORTE_ERROR_LOG: Data unpack had inadequate space in file ../../orte/util/show_help.c at line 513
[dell15:188619] [[16506,0],0] ORTE_ERROR_LOG: Data unpack had inadequate space in file ../../orte/util/show_help.c at line 513
[dell15:188625] *** Process received signal ***
[dell15:188625] Signal: Segmentation fault (11)
[dell15:188625] Signal code: Address not mapped (1)
[dell15:188625] Failing at address: 0xfffffffef637fea5
[dell15:188625] [ 0] /lib/x86_64-linux-gnu/libpthread.so.0(+0x10330)[0x2af4c10ab330]
[dell15:188625] [ 1] /lib/x86_64-linux-gnu/libc.so.6(+0x155c20)[0x2af4c208ac20]
[dell15:188625] [ 2] /opt/pgi/linux86-64-llvm/19.10/lib/libpgf90.so(+0x6ce4c)[0x2af4bfe3ee4c]
[dell15:188625] [ 3] /opt/pgi/linux86-64-llvm/19.10/lib/libpgf90.so(pgf90io_fmt_writea+0xbe)[0x2af4bfe3c1ce]
[dell15:188625] [ 4] /tmp/cdash/build/bin/unresMD_pgf90_MPI_E0LL2Y.exe[0x4111e2]
[dell15:188625] [ 5] /tmp/cdash/build/bin/unresMD_pgf90_MPI_E0LL2Y.exe[0x4b9cda]
[dell15:188625] [ 6] /tmp/cdash/build/bin/unresMD_pgf90_MPI_E0LL2Y.exe[0x4b918a]
[dell15:188625] [ 7] /tmp/cdash/build/bin/unresMD_pgf90_MPI_E0LL2Y.exe[0x403d73]
[dell15:188625] [ 8] /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xf5)[0x2af4c1f56f45]
[dell15:188625] [ 9] /tmp/cdash/build/bin/unresMD_pgf90_MPI_E0LL2Y.exe[0x403c79]
[dell15:188625] *** End of error message ***
[dell15:188624] *** Process received signal ***
[dell15:188624] Signal: Segmentation fault (11)
[dell15:188624] Signal code: Address not mapped (1)
[dell15:188624] Failing at address: 0xfffffffef637fea5
[dell15:188624] [ 0] /lib/x86_64-linux-gnu/libpthread.so.0(+0x10330)[0x2b2715f7f330]
[dell15:188624] [ 1] /lib/x86_64-linux-gnu/libc.so.6(+0x155c20)[0x2b2716f5ec20]
[dell15:188624] [ 2] /opt/pgi/linux86-64-llvm/19.10/lib/libpgf90.so(+0x6ce4c)[0x2b2714d12e4c]
[dell15:188624] [ 3] /opt/pgi/linux86-64-llvm/19.10/lib/libpgf90.so(pgf90io_fmt_writea+0xbe)[0x2b2714d101ce]
[dell15:188624] [ 4] /tmp/cdash/build/bin/unresMD_pgf90_MPI_E0LL2Y.exe[0x4111e2]
[dell15:188624] [ 5] /tmp/cdash/build/bin/unresMD_pgf90_MPI_E0LL2Y.exe[0x4b9cda]
[dell15:188624] [ 6] /tmp/cdash/build/bin/unresMD_pgf90_MPI_E0LL2Y.exe[0x4b918a]
[dell15:188624] [ 7] /tmp/cdash/build/bin/unresMD_pgf90_MPI_E0LL2Y.exe[0x403d73]
[dell15:188624] [ 8] /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xf5)[0x2b2716e2af45]
[dell15:188624] [ 9] /tmp/cdash/build/bin/unresMD_pgf90_MPI_E0LL2Y.exe[0x403c79]
[dell15:188624] *** End of error message ***
--------------------------------------------------------------------------
Primary job terminated normally, but 1 process returned
a non-zero exit code. Per user-direction, the job has been aborted.
--------------------------------------------------------------------------
--------------------------------------------------------------------------
mpirun noticed that process rank 1 with PID 0 on node dell15 exited on signal 11 (Segmentation fault).
--------------------------------------------------------------------------
Processor 0 out of 2 rank in CG_COMM 0
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
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/source/PARAM/thetaml.5parm
51 opened
thetname_pdb
/tmp/cdash/source/PARAM/thetaml.5parm
51 opened
MPI: node= 1 iseed= -2222665
indpdb= 25 pdbref= T
Call Read_Bridge.
ns= 4
MPI: node= 0 iseed= -1111332
Processor 1 0 0 ivec_start 1
ivec_end 39
indpdb= 25 pdbref= T
Call Read_Bridge.
ns= 4
Processor 0 0 0 ivec_start 1
ivec_end 39
after etotal
after etotal
Calling MINIM_DC
Calling MINIM_DC
check_ecart before sumsl
check_ecart before sumsl
check_ecart
check_ecart
SUMSL return code is 8 eval 239
# eval/s 380.5875734127266
refstr= T
SUMSL return code is 8 eval 239
# eval/s 311.0522436600185
refstr= T
initial energy=134.838 reference=134.8382
SUMSL return code
ERROR = SUMSL return code is not 4
but not failing this test, it is known problem with dissulfides
CRITICAL: energy is loo large 15.326200, ene= -135.995600
