CTEST_FULL_OUTPUT
[dell15:93936] [[52802,0],0] ORTE_ERROR_LOG: Data unpack would read past end of buffer in file ../../orte/util/show_help.c at line 507
[dell15:93936] [[52802,0],0] ORTE_ERROR_LOG: Data unpack would read past end of buffer in file ../../orte/util/show_help.c at line 507
[dell15:93963] *** Process received signal ***
[dell15:93963] Signal: Segmentation fault (11)
[dell15:93963] Signal code: Address not mapped (1)
[dell15:93963] Failing at address: 0x6625da0d
[dell15:93964] *** Process received signal ***
[dell15:93964] Signal: Segmentation fault (11)
[dell15:93964] Signal code: Address not mapped (1)
[dell15:93964] Failing at address: 0xffffffff40713d85
[dell15:93963] [ 0] [dell15:93964] /lib/x86_64-linux-gnu/libpthread.so.0(+0x10330)[0x2adb4869a330]
[dell15:93963] [ 1] [ 0] /lib/x86_64-linux-gnu/libc.so.6(+0x155c20)[0x2adb49679c20]
/lib/x86_64-linux-gnu/libpthread.so.0(+0x10330)[0x2b4e73a0f330]
[dell15:93964] [ 1] /lib/x86_64-linux-gnu/libc.so.6(+0x155c20)[0x2b4e749eec20]
[dell15:93963] [ 2] [dell15:93964] /opt/pgi/linux86-64-llvm/19.10/lib/libpgf90.so(+0x6ce4c)[0x2adb4742de4c]
[dell15:93963] [ 3] [ 2] /opt/pgi/linux86-64-llvm/19.10/lib/libpgf90.so(pgf90io_fmt_writea+0xbe)[0x2adb4742b1ce]
[dell15:93963] [ 4] /tmp/cdash/build/bin/unresMD_pgf90_MPI_E0LL2Y.exe[0x4112a2]
[dell15:93963] [ 5] /tmp/cdash/build/bin/unresMD_pgf90_MPI_E0LL2Y.exe[0x4b9cda]
[dell15:93963] [ 6] /tmp/cdash/build/bin/unresMD_pgf90_MPI_E0LL2Y.exe[0x4b918a]
[dell15:93963] [ 7] /tmp/cdash/build/bin/unresMD_pgf90_MPI_E0LL2Y.exe[0x403d73]
[dell15:93963] [ 8] /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xf5)[0x2adb49545f45]
[dell15:93963] /opt/pgi/linux86-64-llvm/19.10/lib/libpgf90.so(+0x6ce4c)[0x2b4e727a2e4c]
[dell15:93964] [ 3] [ 9] /opt/pgi/linux86-64-llvm/19.10/lib/libpgf90.so(pgf90io_fmt_writea+0xbe)[0x2b4e727a01ce]
[dell15:93964] [ 4] /tmp/cdash/build/bin/unresMD_pgf90_MPI_E0LL2Y.exe[0x4112a2]
[dell15:93964] [ 5] /tmp/cdash/build/bin/unresMD_pgf90_MPI_E0LL2Y.exe[0x4b9cda]
[dell15:93964] [ 6] /tmp/cdash/build/bin/unresMD_pgf90_MPI_E0LL2Y.exe[0x4b918a]
[dell15:93964] [ 7] /tmp/cdash/build/bin/unresMD_pgf90_MPI_E0LL2Y.exe[0x403d73]
[dell15:93964] [ 8] /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xf5)[0x2b4e748baf45]
/tmp/cdash/build/bin/unresMD_pgf90_MPI_E0LL2Y.exe[0x403c79]
[dell15:93963] *** End of error message ***
[dell15:93964] [ 9] /tmp/cdash/build/bin/unresMD_pgf90_MPI_E0LL2Y.exe[0x403c79]
[dell15:93964] *** 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 0 with PID 0 on node dell15 exited on signal 11 (Segmentation fault).
--------------------------------------------------------------------------
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/source/PARAM/thetaml.5parm
thetname_pdb
/tmp/cdash/source/PARAM/thetaml.5parm
51 opened
51 opened
MPI: node= 1 iseed= -2222665
MPI: node= 0 iseed= -1111332
indpdb= 25 pdbref= T
indpdb= 25 pdbref= T
Call Read_Bridge.
Call Read_Bridge.
ns= 4
ns= 4
Processor 0 0 0 ivec_start 1
ivec_end 39
Processor 1 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 351.9868691756020
refstr= T
SUMSL return code is 8 eval 239
# eval/s 339.8413656754999
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