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[求助]
VASP优化出现错误！
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WARNING in EDDRMM: call to ZHEGV failed, returncode = 3 2 1 WARNING in EDDRMM: call to ZHEGV failed, returncode = 3 2 1 WARNING in EDDRMM: call to ZHEGV failed, returncode = 3 2 1 WARNING in EDDRMM: call to ZHEGV failed, returncode = 3 2 1 WARNING in EDDRMM: call to ZHEGV failed, returncode = 3 2 1 WARNING in EDDRMM: call to ZHEGV failed, returncode = 3 2 1 WARNING in EDDRMM: call to ZHEGV failed, returncode = 3 2 1 WARNING in EDDRMM: call to ZHEGV failed, returncode = 3 2 1 WARNING in EDDRMM: call to ZHEGV failed, returncode = 3 2 1 WARNING in EDDRMM: call to ZHEGV failed, returncode = 3 2 1 LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! application called MPI_Abort(MPI_COMM_WORLD, 1) - process 12 LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! application called MPI_Abort(MPI_COMM_WORLD, 1) - process 10 LAPACK: Routine ZPOTRF failed! application called MPI_Abort(MPI_COMM_WORLD, 1) - process 19 LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! 1 1 1 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 18 LAPACK: Routine ZPOTRF failed! 1 1 1 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 2 LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! application called MPI_Abort(MPI_COMM_WORLD, 1) - process 22 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 1 LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! application called MPI_Abort(MPI_COMM_WORLD, 1) - process 11 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 15 LAPACK: Routine ZPOTRF failed! application called MPI_Abort(MPI_COMM_WORLD, 1) - process 9 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 8 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 4 LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! application called MPI_Abort(MPI_COMM_WORLD, 1) - process 13 LAPACK: Routine ZPOTRF failed! 1 1 1 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 3 LAPACK: Routine ZPOTRF failed! application called MPI_Abort(MPI_COMM_WORLD, 1) - process 17 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 23 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 21 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 6 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 5 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 14 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 20 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 7 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 16 LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! application called MPI_Abort(MPI_COMM_WORLD, 1) - process 35 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 39 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 36 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 24 LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! application called MPI_Abort(MPI_COMM_WORLD, 1) - process 29 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 46 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 26 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 25 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 31 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 28 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 41 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 30 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 37 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 32 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 34 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 44 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 42 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 38 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 27 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 40 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 33 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 43 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 45 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 47 yhrun: error: cn9221: tasks 24-47: Exited with exit code 1 用VASP优化时出现错误，能给看下有什么办法解决吗？ |
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