Saturday, April 27 2024 17:43:52
UNRES
0.20s| Exit Value | 2 |
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CTEST_FULL_OUTPUT -------------------------------------------------------------------------- The library attempted to open the following supporting CUDA libraries, but each of them failed. CUDA-aware support is disabled. libcuda.so.1: cannot open shared object file: No such file or directory /usr/lib64/libcuda.so.1: cannot open shared object file: No such file or directory If you are not interested in CUDA-aware support, then run with --mca mpi_cuda_support 0 to suppress this message. If you are interested in CUDA-aware support, then try setting LD_LIBRARY_PATH to the location of libcuda.so.1 to get passed this issue. -------------------------------------------------------------------------- MPI: node= 0 iseed= -3059742 indpdb= 33 pdbref= T Call Read_Bridge. ns= 0 Enter REGULARIZE: nnt= 2 nct= 21 nsup= 20 nstart_seq= 2 nstart_sup 2 Enter REGULARIZE: Initial RMS deviation: 0.00000 Regularization: pass: 1 Etot= 10.89923614167166 Regularization: pass: 2 Etot= 10.89923614167166 Final minimization ... Etot= 10.89923614167166 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_inexact is signaling Bye Bye... SUMSL return code 3 WARNING = SUMSL return code 3 is not 4 CRITICAL: energy is loo large 57.442792, ene= 9.892792 ------------------------------------------------------- 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: [[56086,1],0] Exit code: 2 --------------------------------------------------------------------------
