标题: 用vasp运行LOBSTER计算COHP出现问题 [打印本页] 作者Author: ayayay 时间: 2020-4-27 22:41 标题: 用vasp运行LOBSTER计算COHP出现问题 你好，可以帮忙解答一下吗？
请问用LOBSTER计算COHP时，出现以下情况可能是由什么导致的？ (, 下载次数 Times of downloads: 51)
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当换服务器运行LOBSTER时。又出现了以下这种情况，为什么会导致连接断开呢？ (, 下载次数 Times of downloads: 40)
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作者Author: sige 时间: 2020-6-9 15:28
Given certain circumstances your LOBSTER calculation might stop prematurely printing a message similar to the following:
projecting...
0% 10 20 30 40 50 60 70 80 90 100%
|----|----|----|----|----|----|----|----|----|----|
Killed
This means that your operating system decided to abort the execution of LOBSTER. Most prob-ably your machine just ran out of memory, but there are other possible reasons as well. Under Linux you can run the following command to see for yourself:
dmesg | tail
You can try to stop other running processes and try again. In most cases, however, you will have to move to a bigger machine to finish the calculation successfully.作者Author: ayayay 时间: 2020-9-4 10:11
好的，谢谢你了。作者Author: nemolee 时间: 2022-5-31 12:38
试试ulimit -s unlimited作者Author: HG20 时间: 2023-9-24 21:55
请问，运行它时，lobster < lobsterin 报错如下，怎么解决
Some, but not all WAVECAR header information was read as expected.Most probably, this means that your WAVECAR is not consistent with your vasprun.xml, so you could have mixed something up. Please restart your VASP calculation from scratch and try again. If the problem persists, you might have found a bug.terminate called after throwing an instance of 'std::runtime_error'
what(): WAVECAR inconsistent
Aborted (core dumped) 作者Author: ssswx 时间: 2023-12-23 15:45
HG20 发表于 2023-9-24 21:55
请问，运行它时，lobster < lobsterin 报错如下，怎么解决
Some, but not all WAVECAR header informatio ...
