Sunday, September 22 2024 22:29:17
UNRES
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CTEST_FULL_OUTPUT [dell15:93569] [[52531,0],0] ORTE_ERROR_LOG: Data unpack had inadequate space in file ../../orte/util/show_help.c at line 513 [dell15:93569] [[52531,0],0] ORTE_ERROR_LOG: Data unpack had inadequate space in file ../../orte/util/show_help.c at line 513 Warning: ieee_invalid is signaling Warning: ieee_denorm is signaling Warning: ieee_divide_by_zero is signaling Warning: ieee_underflow is signaling Warning: ieee_inexact is signaling Bye Bye... Warning: ieee_invalid is signaling Warning: ieee_denorm is signaling Warning: ieee_divide_by_zero is signaling Warning: ieee_underflow is signaling Warning: ieee_inexact is signaling Bye Bye... MPI: node= 0 iseed= -1111332 indpdb= 25 pdbref= T Call Read_Bridge. ns= 4 dc 6.010000000000000 dc 6.010000000000000 15.35800000000000 -0.6060000000000001 MPI: node= 1 iseed= -2222665 after etotal after hairpin after secondary Calling MINIM_DC indpdb= 25 pdbref= T Call Read_Bridge. ns= 4 dc 6.010000000000000 dc 6.010000000000000 15.35800000000000 -0.6060000000000001 after etotal after hairpin after secondary Calling MINIM_DC SUMSL return code is 8 eval 1715 # eval/s 639.7012958716217 refstr= T after hairpin after secondary SUMSL return code is 8 eval 1715 # eval/s 621.4901342410991 refstr= T after hairpin after secondary CG processor 1 is finishing work. CG processor 0 is finishing work. 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= 2.843400, ene= -144.841000
