54.32s
Test: UNRES_M_CHECKGRAD1_homology
(Failed)
Build: devel Linux-pgi-MPI-DFA E0LL2Y
(dell15)
on 2020-03-18 05:40:44
Repository revision: 3780eeb69b2f9f5f6f29c6902016325ab328e897
Show Command Line/opt/pgi/linux86-64/2019/mpi/openmpi-3.1.3/bin/mpirun "-np" "1" "/tmp/cdash/devel/build/source/unres/src_MD-M-SAXS-homology/test_prota_E0LL2Y.sh" "Ts866_checkgrad_full" "1"
Show Test Time Graph
Show Failing/Passing Graph
Test outputCTEST_FULL_OUTPUT
1
JESTEM
JESTEM
JESTEM
indpdb= 57 pdbref= T
Call Read_Bridge.
ns= 0
ATU 3
Calling CHECK_ECARTINT 1.000D-07
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CG processor 0 is finishing work.
Warning: ieee_invalid is signaling
Warning: ieee_denorm is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_overflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Largest abs(1-numerical/analytical)= 0.75653
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779 1.00000E+00
780 1.00000E+00
781 1.00000E+00
782 1.00000E+00
783 1.00000E+00
784 1.00000E+00
785 1.00000E+00
786 1.00000E+00
787 1.00000E+00
788 1.00000E+00
789 1.00000E+00
790 1.00000E+00
791 1.00000E+00
792 1.00000E+00
793 1.00000E+00
794 1.00000E+00
795 1.00000E+00
796 1.00000E+00
797 1.00000E+00
798 1.00000E+00
799 1.00000E+00
800 1.00000E+00
801 1.00000E+00
802 1.00000E+00
803 1.00000E+00
804 1.00000E+00
805 1.00000E+00
806 1.00000E+00
807 1.00000E+00
808 1.00000E+00
809 1.00000E+00
810 1.00000E+00
811 1.00000E+00
812 1.00000E+00
813 1.00000E+00
814 1.00000E+00
815 1.00000E+00
816 1.00000E+00
817 1.00000E+00
818 1.00000E+00
819 1.00000E+00
820 1.00000E+00
821 1.00000E+00
822 1.00000E+00
823 1.00000E+00
824 1.00000E+00
825 1.00000E+00
826 1.00000E+00
827 1.00000E+00
828 1.00000E+00
829 1.00000E+00
830 1.00000E+00
831 1.00000E+00
832 1.00000E+00
833 1.00000E+00
834 1.00000E+00
835 1.00000E+00
836 1.00000E+00
837 1.00000E+00
838 1.00000E+00
839 1.00000E+00
840 1.00000E+00
841 1.00000E+00
842 1.00000E+00
843 1.00000E+00
844 1.00000E+00
845 1.00000E+00
846 1.00000E+00
847 1.00000E+00
848 1.00000E+00
849 1.00000E+00
850 1.00000E+00
851 1.00000E+00
852 1.00000E+00
853 1.00000E+00
854 1.00000E+00
855 1.00000E+00
856 1.00000E+00
857 1.00000E+00
858 1.00000E+00
859 1.00000E+00
860 1.00000E+00
861 1.00000E+00
862 1.00000E+00
863 1.00000E+00
864 1.00000E+00
865 1.00000E+00
866 1.00000E+00
867 1.00000E+00
868 1.00000E+00
869 1.00000E+00
870 1.00000E+00
871 1.00000E+00
872 1.00000E+00
873 1.00000E+00
874 1.00000E+00
875 1.00000E+00
876 1.00000E+00
877 1.00000E+00
878 1.00000E+00
879 1.00000E+00
880 1.00000E+00
881 1.00000E+00
882 1.00000E+00
883 1.00000E+00
884 1.00000E+00
885 1.00000E+00
886 1.00000E+00
887 1.00000E+00
888 1.00000E+00
889 1.00000E+00
890 1.00000E+00
891 1.00000E+00
892 1.00000E+00
893 1.00000E+00
894 1.00000E+00
895 1.00000E+00
896 1.00000E+00
897 1.00000E+00
898 1.00000E+00
899 1.00000E+00
900 1.00000E+00
901 1.00000E+00
902 1.00000E+00
903 1.00000E+00
904 1.00000E+00
905 1.00000E+00
906 1.00000E+00
907 1.00000E+00
908 1.00000E+00
909 1.00000E+00
910 1.00000E+00
911 1.00000E+00
912 1.00000E+00
913 1.00000E+00
914 1.00000E+00
915 1.00000E+00
916 1.00000E+00
917 1.00000E+00
918 1.00000E+00
919 1.00000E+00
920 1.00000E+00
921 1.00000E+00
922 1.00000E+00
923 1.00000E+00
924 1.00000E+00
925 1.00000E+00
926 1.00000E+00
927 1.00000E+00
928 1.00000E+00
929 1.00000E+00
930 1.00000E+00
931 1.00000E+00
932 1.00000E+00
933 1.00000E+00
934 1.00000E+00
935 1.00000E+00
936 1.00000E+00
937 1.00000E+00
938 1.00000E+00
939 1.00000E+00
940 1.00000E+00
941 1.00000E+00
942 1.00000E+00
943 1.00000E+00
944 1.00000E+00
945 1.00000E+00
946 1.00000E+00
947 1.00000E+00
948 1.00000E+00
949 1.00000E+00
950 1.00000E+00
951 1.00000E+00
952 1.00000E+00
953 1.00000E+00
954 1.00000E+00
955 1.00000E+00
956 1.00000E+00
957 1.00000E+00
958 1.00000E+00
959 1.00000E+00
960 1.00000E+00
961 1.00000E+00
962 1.00000E+00
963 1.00000E+00
964 1.00000E+00
965 1.00000E+00
966 1.00000E+00
967 1.00000E+00
968 1.00000E+00
969 1.00000E+00
970 1.00000E+00
971 1.00000E+00
972 1.00000E+00
973 1.00000E+00
974 1.00000E+00
975 1.00000E+00
976 1.00000E+00
977 1.00000E+00
978 1.00000E+00
979 1.00000E+00
980 1.00000E+00
981 1.00000E+00
982 1.00000E+00
983 1.00000E+00
984 1.00000E+00
985 1.00000E+00
986 1.00000E+00
987 1.00000E+00
988 1.00000E+00
989 1.00000E+00
990 1.00000E+00
991 1.00000E+00
992 1.00000E+00
993 1.00000E+00
994 1.00000E+00
995 1.00000E+00
996 1.00000E+00
997 1.00000E+00
998 1.00000E+00
999 1.00000E+00
1000 1.00000E+00
1001 1.00000E+00
1002 1.00000E+00
1003 1.00000E+00
1004 1.00000E+00
1005 1.00000E+00
1006 1.00000E+00
1007 1.00000E+00
1008 1.00000E+00
1009 1.00000E+00
1010 1.00000E+00
1011 1.00000E+00
1012 1.00000E+00
1013 1.00000E+00
1014 1.00000E+00
1015 1.00000E+00
1016 1.00000E+00
1017 1.00000E+00
1018 1.00000E+00
1019 1.00000E+00
1020 1.00000E+00
1021 1.00000E+00
1022 1.00000E+00
1023 1.00000E+00
1024 1.00000E+00
1025 1.00000E+00
1026 1.00000E+00
1027 1.00000E+00
1028 1.00000E+00
1029 1.00000E+00
1030 1.00000E+00
1031 1.00000E+00
1032 1.00000E+00
1033 1.00000E+00
1034 1.00000E+00
1035 1.00000E+00
1036 1.00000E+00
1037 1.00000E+00
1038 1.00000E+00
1039 1.00000E+00
1040 1.00000E+00
1041 1.00000E+00
1042 1.00001E+00
1043 1.00001E+00
1044 1.00001E+00
1045 1.00001E+00
1046 1.00001E+00
1047 1.00001E+00
1048 1.00001E+00
1049 1.00001E+00
1050 1.00001E+00
1051 1.00001E+00
1052 1.00001E+00
1053 1.00001E+00
1054 1.00001E+00
1055 1.00001E+00
1056 1.00001E+00
1057 1.00001E+00
1058 1.00001E+00
1059 1.00001E+00
1060 1.00001E+00
1061 1.00001E+00
1062 1.00001E+00
1063 1.00001E+00
1064 1.00001E+00
1065 1.00001E+00
1066 1.00001E+00
1067 1.00001E+00
1068 1.00001E+00
1069 1.00001E+00
1070 1.00001E+00
1071 1.00001E+00
1072 1.00001E+00
1073 1.00001E+00
1074 1.00001E+00
1075 1.00001E+00
1076 1.00001E+00
1077 1.00001E+00
1078 1.00002E+00
1079 1.00002E+00
1080 1.00002E+00
1081 1.00002E+00
1082 1.00002E+00
1083 1.00002E+00
1084 1.00002E+00
1085 1.00002E+00
1086 1.00002E+00
1087 1.00002E+00
1088 1.00002E+00
1089 1.00003E+00
1090 1.00003E+00
1091 1.00003E+00
1092 1.00005E+00
1093 1.00005E+00
1094 1.00007E+00
1095 1.00007E+00
1096 1.00007E+00
1097 1.00008E+00
1098 1.00008E+00
1099 1.00015E+00
1100 1.10588E+00
1101 1.75653E+00
ETOT= 3124.54 reference= 3124.347
difference .193 from reference etot 3124.347 greater than 0.01
H_CONS= 1872.98 reference= 1872.981
ERROR largest abs(1-numerical/analytical) 0.7565300000
greater than 0.0020
--------------------------------------------------------------------------
Primary job terminated normally, but 1 process returned
a non-zero exit code. Per user-direction, the job has been aborted.
--------------------------------------------------------------------------
--------------------------------------------------------------------------
mpirun detected that one or more processes exited with non-zero status, thus causing
the job to be terminated. The first process to do so was:
Process name: [[63038,1],0]
Exit code: 1
--------------------------------------------------------------------------
