Tuesday, November 05 2024 09:33:30
UNRES
0.92s| 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-M/1ei0_min_GB000.int Image PC Routine Line Source libifcoremt.so.5 00007F81BA60D6E5 for__io_return Unknown Unknown libifcoremt.so.5 00007F81BA631E41 for_open Unknown Unknown unresMD-mult_ifor 0000000000467C2A Unknown Unknown Unknown unresMD-mult_ifor 0000000000582559 Unknown Unknown Unknown unresMD-mult_ifor 0000000000403892 Unknown Unknown Unknown libc-2.31.so 00007F81B8060083 __libc_start_main Unknown Unknown unresMD-mult_ifor 000000000040379E Unknown Unknown Unknown Bye Bye... MPI: node= 0 iseed= -1111332 indpdb= 25 pdbref= T Call Read_Bridge. ns= 4 dc 6.01000000000000 dc 6.01000000000000 15.3580000000000 -0.606000000000000 after etotal after hairpin after secondary Calling MINIM_DC MPI: node= 0 iseed= -1111332 indpdb= 25 pdbref= T Call Read_Bridge. ns= 4 dc 6.01000000000000 dc 6.01000000000000 15.3580000000000 -0.606000000000000 after etotal after hairpin after secondary Calling MINIM_DC SUMSL return code is 8 eval 346 # eval/s 1541.17464313556 refstr= T after hairpin after secondary CG processor 0 is finishing work. SUMSL return code is 8 eval 346 # eval/s 1427.03486789363 refstr= T after hairpin after secondary =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 0 PID 863851 RUNNING AT dell15 = EXIT STATUS: 104 =================================================================================== initial energy=134.706 reference=134.706 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= 6.457500, ene= -135.540100
