计算化学公社

标题: 高斯结束，最后几行大家帮忙看看(requested number of processors reduced to: 14... [打印本页]

作者
Author: wzy 时间: 2019-11-4 20:19
标题: 高斯结束，最后几行大家帮忙看看(requested number of processors reduced to: 14...
今天计算了6个高斯作业，5个都这样，大家帮忙看看是什么原因，谢谢大家
%nproc=32
%chk=1.chk
%mem=1GB
#p B3LYP/gen pseudo=read opt freq EmpiricalDispersion=GD3BJ

T

0 1
C                2.67807900 -4.27158600 1.79887900
H                4.60942300 -2.96037000 2.64284700
N                3.89776100 -4.16568200 1.15164400

C H N O 0
6-31G(d,p)
****
Au 0
LanL2DZ
****

Au 0
LanL2DZ

这是文件最后几行，请大家帮帮忙！CalDSu:  requested number of processors reduced to:  14 ShMem 1 Linda.
CoulSu:  requested number of processors reduced to:  14 ShMem 1 Linda.
CalDSu:  requested number of processors reduced to:  14 ShMem 1 Linda.
CoulSu:  requested number of processors reduced to:  14 ShMem 1 Linda.
CalDSu:  requested number of processors reduced to:  14 ShMem 1 Linda.
CoulSu:  requested number of processors reduced to:  14 ShMem 1 Linda.
CalDSu:  requested number of processors reduced to:  14 ShMem 1 Linda.
CoulSu:  requested number of processors reduced to:  14 ShMem 1 Linda.
CalDSu:  requested number of processors reduced to:  14 ShMem 1 Linda.
CoulSu:  requested number of processors reduced to:  14 ShMem 1 Linda.
CalDSu:  requested number of processors reduced to:  14 ShMem 1 Linda.
CoulSu:  requested number of processors reduced to:  14 ShMem 1 Linda.
CalDSu:  requested number of processors reduced to:  14 ShMem 1 Linda.
CoulSu:  requested number of processors reduced to:  14 ShMem 1 Linda.
CalDSu:  requested number of processors reduced to:  14 ShMem 1 Linda.
CoulSu:  requested number of processors reduced to:  14 ShMem 1 Linda.
CalDSu:  requested number of processors reduced to:  14 ShMem 1 Linda.
CoulSu:  requested number of processors reduced to:  14 ShMem 1 Linda.
                                                                                                   193682,2    Bot

作者
Author: liyuanhe211 时间: 2019-11-4 20:25
给了多少内存？提供完整的输入文件（如果坐标需要保密，坐标部分只保留每个原子的元素名称），看看多大的体系，什么级别。

输出文件多给几行，起码得能看出来是哪个link

看看该如何提问才能让人容易解决问题：http://bbs.keinsci.com/thread-4829-1-1.html

作者
Author: SherryLiu 时间: 2019-11-5 07:06
Google 了一下，类似问题，作者说是内存问题：I found that, the reason is memory space problem.
是不是调用的内存太多了，系统内存不足，调小内存试试。
https://www.researchgate.net/pos ... y_I_got_below_error

作者
Author: sobereva 时间: 2019-11-5 08:21
哪有用32核才给1GB内存的，内存那么小，会导致自动降低并行线程数，甚至根本就没法算完

作者
Author: wzy 时间: 2019-11-5 09:45
本帖最后由 wzy 于 2019-11-5 09:47 编辑

sobereva 发表于 2019-11-5 08:21
哪有用32核才给1GB内存的，内存那么小，会导致自动降低并行线程数，甚至根本就没法算完

并行线程数，不太懂什么意思，麻烦老师讲解下。还有那老师认为应该用多大内存

作者
Author: xuhj199508 时间: 2019-11-5 09:54

wzy 发表于 2019-11-5 09:45
并行线程数，不太懂什么意思，麻烦老师讲解下。还有那老师认为应该用多大内存

我是28核30G内存，你可以参考下

作者
Author: sobereva 时间: 2019-11-11 11:28

wzy 发表于 2019-11-5 09:45
并行线程数，不太懂什么意思，麻烦老师讲解下。还有那老师认为应该用多大内存

该用多大仔细看
Gaussian的安装方法及运行时的相关问题
http://sobereva.com/439（http://bbs.keinsci.com/thread-10814-1-1.html）

欢迎光临计算化学公社 (http://bbs.keinsci.com/)