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sbingyi

铁杆木虫 (正式写手)

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专业: 理论和计算化学

[求助] vasp运行错误已有1人参与

请帮忙看一下运行VASP时出现错误：
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image             PC             Routine          Line       Source
vasp             0000000001064551  Unknown             Unknown  Unknown
vasp             000000000106268B  Unknown             Unknown  Unknown
vasp             0000000001010584  Unknown             Unknown  Unknown
vasp             0000000001010396  Unknown             Unknown  Unknown
vasp             0000000000FAD399  Unknown             Unknown  Unknown
vasp             0000000000FB3BC6  Unknown             Unknown  Unknown
libpthread-2.12.s  0000003EE480F7E0  Unknown             Unknown  Unknown
vasp             000000000063E91D  Unknown             Unknown  Unknown
vasp             0000000000BE31EF  Unknown             Unknown  Unknown
vasp             0000000000C03CE5  Unknown             Unknown  Unknown
vasp             000000000042EC8C  Unknown             Unknown  Unknown
vasp             000000000040969E  Unknforrtl: severe (174): SIGSEGV, segmentation fault occurred
Image             PC             Routine          Line       Source
vasp             0000000001064551  Unknown             Unknown  Unknown
vasp             000000000106268B  Unknown             Unknown  Unknown
vasp             0000000001010584  Unknown             Unknown  Unknown
vasp             0000000001010396  Unknown             Unknown  Unknown
vasp             0000000000FAD399  Unknown             Unknown  Unknown
vasp             0000000000FB3BC6  Unknown             Unknown  Unknown
libpthread-2.12.s  000000362120F7E0  Unknown             Unknown  Unknown
vasp             000000000063E91D  Unknown             Unknown  Unknown
vasp             0000000000BE31EF  Unknown             Unknown  Unknown
vasp             0000000000C03CE5  Unknown             Unknown  Unknown
vasp             000000000042EC8C  Unknown             Unknown  Unknown
vasp             000000000040969E  Unknown             Unknown  Unknown
libc-2.12.so    0000003620A1ED1D  __libc_start_main    Unknown  Unknown
vasp             00000000004095A9  Unknown             Unknown  Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image             PC             Routine          Line       Source
vasp             0000000001064551  Unknown             Unknown  Unknown
vasp             000000000106268B  Unknown             Unknown  Unknown
vasp             0000000001010584  Unknown             Unknown  Unknown
vasp             0000000001010396  Unknown             Unknown  Unknown
vasp             0000000000FAD399  Unknown             Unknown  Unknown
vasp             0000000000FB3BC6  Unknown             Unknown  Unknown
libpthread-2.12.s  000000362120F7E0  Unknown             Unknown  Unknown
vasp             000000000063E91D  Unknown             Unknown  Unknown
vasp             0000000000BE31EF  Unknown             Unknown  Unknown
vasp             0000000000C03CE5  Unknown             Unknown  Unknown
vasp             000000000042EC8C  Unknown             Unknown  Unknown
vasp             000000000040969E  Unknown             Unknown  Unknown
libc-2.12.so    0000003620A1ED1D  __libc_start_main    Unknown  Unknown
vasp             00000000004095A9  Unknown             Unknown  Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image             PC             Routine          Line       Source
vasp             0000000001064551  Unknown             Unknown  Unknown
vasp             000000000106268B  Unknown             Unknown  Unknown
vasp             0000000001010584  Unknown             Unknown  Unknown
vasp             0000000001010396  Unknown             Unknown  Unknown
vasp             0000000000FAD399  Unknown             Unknown  Unknown
vasp             0000000000FB3BC6  Unknown             Unknown  Unknown
libpthread-2.12.s  000000362120F7E0  Unknown             Unknown  Unknown
vasp             000000000063E91D  Unknown             Unknown  Unknown
vasp             0000000000BE31EF  Unknown             Unknown  Unknown
vasp             0000000000C03CE5  Unknown             Unknown  Unknown
vasp             000000000042EC8C  Unknown             Unknown  Unknown
vasp             000000000040969E  Unknown             Unknown  Unknown
libc-2.12.so    0000003620A1ED1D  __libc_start_main    Unknown  Unknown
vasp             00000000004095A9  Unknown             Unknown  Unknown
own             Unknown  Unknown
libc-2.12.so    0000003EE401ED1D  __libc_start_main    Unknown  Unknown
vasp             00000000004095A9  Unknown             Unknown  Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image             PC             Routine          Line       Source
vasp             0000000001064551  Unknown             Unknown  Unknown
vasp             000000000106268B  Unknown             Unknown  Unknown
vasp             0000000001010584  Unknown             Unknown  Unknown
vasp             0000000001010396  Unknown             Unknown  Unknown
vasp             0000000000FAD399  Unknown             Unknown  Unknown
vasp             0000000000FB3BC6  Unknown             Unknown  Unknown
libpthread-2.12.s  0000003EE480F7E0  Unknown             Unknown  Unknown
vasp             000000000063E91D  Unknown             Unknown  Unknown
vasp             0000000000BE31EF  Unknown             Unknown  Unknown
vasp             0000000000C03CE5  Unknown             Unknown  Unknown
vasp             000000000042EC8C  Unknown             Unknown  Unknown
vasp             000000000040969E  Unknown             Unknown  Unknown
libc-2.12.so    0000003EE401ED1D  __libc_start_main    Unknown  Unknown
vasp             00000000004095A9  Unknown             Unknown  Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image             PC             Routine          Line       Source
vasp             0000000001064551  Unknown             Unknown  Unknown
vasp             000000000106268B  Unknown             Unknown  Unknown
vasp             0000000001010584  Unknown             Unknown  Unknown
vasp             0000000001010396  Unknown             Unknown  Unknown
vasp             0000000000FAD399  Unknown             Unknown  Unknown
vasp             0000000000FB3BC6  Unknown             Unknown  Unknown
libpthread-2.12.s  0000003EE480F7E0  Unknown             Unknown  Unknown
vasp             000000000063E91D  Unknown             Unknown  Unknown
vasp             0000000000BE31EF  Unknown             Unknown  Unknown
vasp             0000000000C03CE5  Unknown             Unknown  Unknown
vasp             000000000042EC8C  Unknown             Unknown  Unknown
vasp             000000000040969E  Unknown             Unknown  Unknown
libc-2.12.so    0000003EE401ED1D  __libc_start_main    Unknown  Unknown
vasp             00000000004095A9  Unknown             Unknown  Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image             PC             Routine          Line       Source
vasp             0000000001064551  Unknown             Unknown  Unknown
vasp             000000000106268B  Unknown             Unknown  Unknown
vasp             0000000001010584  Unknown             Unknown  Unknown
vasp             0000000001010396  Unknown             Unknown  Unknown
vasp             0000000000FAD399  Unknown             Unknown  Unknown
vasp             0000000000FB3BC6  Unknown             Unknown  Unknown
libpthread-2.12.s  000000362120F7E0  Unknown             Unknown  Unknown
vasp             000000000063E91D  Unknown             Unknown  Unknown
vasp             0000000000BE31EF  Unknown             Unknown  Unknown
vasp             0000000000C03CE5  Unknown             Unknown  Unknown
vasp             000000000042EC8C  Unknown             Unknown  Unknown
vasp             000000000040969E  Unknown             Unknown  Unknown
libc-2.12.so    0000003620A1ED1D  __libc_start_main    Unknown  Unknown
vasp             00000000004095A9  Unknown             Unknown  Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image             PC             Routine          Line       Source
vasp             0000000001064551  Unknown             Unknown  Unknown
vasp             000000000106268B  Unknown             Unknown  Unknown
vasp             0000000001010584  Unknown             Unknown  Unknown
vasp             0000000001010396  Unknown             Unknown  Unknown
vasp             0000000000FAD399  Unknown             Unknown  Unknown
vasp             0000000000FB3BC6  Unknown             Unknown  Unknown
libpthread-2.12.s  0000003EE480F7E0  Unknown             Unknown  Unknown
vasp             000000000063E91D  Unknown             Unknown  Unknown
vasp             0000000000BE31EF  Unknown             Unknown  Unknown
vasp             0000000000C03CE5  Unknown             Unknown  Unknown
vasp             000000000042EC8C  Unknown             Unknown  Unknown
vasp             000000000040969E  Unknown             Unknown  Unknown
libc-2.12.so    0000003EE401ED1D  __libc_start_main    Unknown  Unknown
vasp             00000000004095A9  Unknown             Unknown  Unknown
srun: error: node1: tasks 0-3: Exited with exit code 174
srun: error: node2: tasks 4-7: Exited with exit code 174
这个应该怎么解决啊?多谢各位！

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1楼 2017-05-03 22:37:25

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

小奴隶

木虫 (著名写手)

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专业: 凝聚态物性 II ：电子结构

【答案】应助回帖

★ ★
感谢参与，应助指数 +1
sbingyi(蛋蛋小童鞋代发): 金币+2, 谢谢参与，小木虫鼓励积极回答问题者 2017-05-05 14:54:05

感觉是计算时计算资源分配的问题，你看看提交任务的脚本，修改一下试试……

发自小木虫Android客户端

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2楼2017-05-04 00:12:08

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

sbingyi

铁杆木虫 (正式写手)

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帖子: 673
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虫号: 2647093
注册: 2013-09-11
性别: MM
专业: 理论和计算化学

引用回帖:

2楼: Originally posted by 小奴隶 at 2017-05-04 00:12:08
感觉是计算时计算资源分配的问题，你看看提交任务的脚本，修改一下试试……

您好，下面这个是我的脚本，您帮忙看一下：
#!/bin/bash

#SBATCH -n 8
#SBATCH -N 2
#SBATCH --ntasks-per-node=4
#SBATCH -J jobname
#SBATCH --time=10:00:00
#SBATCH -o vasp.out
#SBATCH -e vasp.err

ulimit -t unlimited
module load vasp
srun --mpi=pmi2 vasp

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3楼2017-05-04 09:16:46

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