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 ...

您好~，请问您的问题解决了嘛

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)

试试ulimit -s unlimited

好的，谢谢你了。

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.