Monday, November 04 2024 22:28:35
UNRES
1.01s| Processors | [Graph]1 |
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CTEST_FULL_OUTPUT Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_OVERFLOW_FLAG STOP Bye Bye... Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_OVERFLOW_FLAG STOP Bye Bye... 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 MPI: node= 1 iseed= -2222665 indpdb= 25 pdbref= T Call Read_Bridge. ns= 4 Processor 1 0 0 ivec_start 1 ivec_end 39 after etotal Calling MINIM_DC check_ecart before sumsl MPI: node= 0 iseed= -1111332 indpdb= 25 pdbref= T Call Read_Bridge. ns= 4 Processor 0 0 0 ivec_start 1 ivec_end 39 after etotal Calling MINIM_DC check_ecart before sumsl check_ecart check_ecart SUMSL return code is 8 eval 1119 # eval/s 1633.2692366716906 refstr= T SUMSL return code is 8 eval 1119 # eval/s 1584.1762073141588 refstr= T CG processor 0 is finishing work. CG processor 1 is finishing work. initial energy=134.838 reference=134.8382 SUMSL return code 20 ERROR = SUMSL return code 20 is not 4 but not failing this test, it is known problem with dissulfides OK: absdiff= 5.231200, ene= -146.090600
