计算化学公社

标题: gaussian Error Frequency calculations [打印本页]

作者
Author: hlmkh 时间: 2016-8-7 12:22
标题: gaussian Error Frequency calculations
Hello friends
The following error frequency calculation and can not fix
Please help me
Thanks

(, 下载次数 Times of downloads: 38)

作者
Author: sobereva 时间: 2016-8-7 12:28
rwf文件把硬盘分区写满了。
删垃圾文件腾scratch目录所在的空间，或者自行恰当指定%rwf以设定rwf产生的目录和大小。
必须去掉可耻的scfcyc=1000。

作者
Author: hlmkh 时间: 2016-8-7 12:59
You Thank, is Mr. sobereva
the I AM ON at The empty Scratch Folder Server, at The Server Will do at The Calculations
How the I CAN use at The RWF%
Disk Usage IS Limited to 10 GB (, 下载次数 Times of downloads: 43)

作者
Author: 灰飞的旋律 时间: 2016-8-7 13:20
本帖最后由灰飞的旋律于 2016-8-7 14:12 编辑

I recommend you to read the g09 user book.
There is a way to redefine the location of .rwf file
(, 下载次数 Times of downloads: 30)
you can define the location of .rwf in the bigger partitions of your sever.
For a workstation, the default location of .rwf were always set in /tmp . You need to redefine it in /home, it is bigger enough to write the .rwf file.

作者
Author: sobereva 时间: 2016-8-7 22:28
例：%rwf= /tmp/,480MB,/sob/scratch/,2GB,/temp/s0/my_job.rwf, -1
说明在/tmp和/sob/scratch目录下分别允许生成480MB和2GB的rwf文件，文件名自动决定。并且允许生成/temp/s0/my_job.rwf文件，可以占用剩下的所有空间。产生rwf文件时会按照上面设定的顺序产生。

作者
Author: hlmkh 时间: 2016-8-24 13:47
标题: RE: gaussian Error Frequency calculations
Tanks Mr sobereva
The calculations are given in the following error
Please Help Me
(, 下载次数 Times of downloads: 41)

作者
Author: sobereva 时间: 2016-8-24 17:48

hlmkh 发表于 2016-8-24 13:47
Tanks Mr sobereva
The calculations are given in the following error
Please Help Me

This is a known bug of old version of Gaussian. Use g09 E.01 instead.

作者
Author: hlmkh 时间: 2016-8-31 11:24
本帖最后由 hlmkh 于 2016-8-31 15:36 编辑

sobereva 发表于 2016-8-24 17:48
This is a known bug of old version of Gaussian. Use g09 E.01 instead.

Re Error Frequency Calculation in Gaussian
Please help me
Gaussian version of E01, D01

(, 下载次数 Times of downloads: 31)

作者
Author: sobereva 时间: 2016-8-31 22:46

hlmkh 发表于 2016-8-31 11:24
Re Error Frequency Calculation in Gaussian
Please help me
Gaussian version of E01, D01

A possible bug, you can send output file to Gaussian staff

欢迎光临计算化学公社 (http://bbs.keinsci.com/)