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【求助】Segmentation fault when running a “Geometric optimization” job
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Hi all, I get a "Segmentation fault" error when I running a “Geometric optimization” job under OpenMPI. MPI said "mpiexec noticed that job rank 3 with PID 3248 on node localhost.localdomain exited on signal 11 (Segmentation fault)." The end of the log file is pasted bellow: At SCF step 20, etot is converged : for the second time, diff in etot= 1.453E-07 < toldfe= 1.000E-06 forstrnps: loop on k-points and spins done in parallel -P-0000 leave_test : synchronization done... This job is the second part of "Geometric optimization", the first of which was completed successfully with keywords "ionmov = 1, optcell = 0". And the keywords in this job are: ntime 500 ionmov 3 optcell 2 ecutsm 0.5 dilatmx 1.1 Hoping your help. Thanks. |
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