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gaussian Error Frequency calculations

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hlmkh

发布时间: 2016-8-7 12:22

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Hello friends The following error frequency calculation and can not fix Please help me Thanks

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sobereva 发表于 Post on 2016-8-31 22:46:44

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

sobereva 发表于 Post on 2016-8-24 17:48:00

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.

sobereva 发表于 Post on 2016-8-7 22:28:25

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。

灰飞的旋律 发表于 Post on 2016-8-7 13:20:15

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

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.

sobereva 发表于 Post on 2016-8-7 12:28:37

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。

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