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小哈哈cail

新虫 (初入文坛)

应助: 0 (幼儿园)
金币: 7
帖子: 3
在线: 12.6小时
虫号: 6457441
注册: 2017-05-05
专业: 材料物理化学

[求助] VASP优化出现错误！

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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