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Stop Module: slapaf at Tue Oct 20 08:36:33 2020 /rc= _CONTINUE_LOOP_ ---
--- Stop Module: auto at Tue Oct 20 08:36:34 2020 /rc= _CONTINUE_LOOP_ ---
--- Module auto spent 25 minutes and 5 seconds
--- Start Module: auto at Tue Oct 20 08:36:34 2020
***
--- Start Module: seward at Tue Oct 20 08:36:34 2020
--- Stop Module: seward at Tue Oct 20 08:37:10 2020 /rc=0 ---
--- Module seward spent 36 seconds
***
--- Start Module: rasscf at Tue Oct 20 08:37:13 2020
--- Stop Module: rasscf at Tue Oct 20 08:42:53 2020 /rc=0 ---
--- Module rasscf spent 5 minutes and 40 seconds
***
--- Start Module: alaska at Tue Oct 20 08:42:58 2020
--- Stop Module: alaska at Tue Oct 20 08:42:58 2020 /rc= _INVOKED_OTHER_MODULE_ ---
***
--- Start Module: mclr at Tue Oct 20 08:42:58 2020
Reordering of the Cholesky vectors to full storage.
Elapsed time for the reordering section: 0.400000000000000
CPU time for the reordering section: 0.400000000000000
TIMING INFORMATION: CPU(s) %CPU Elapsed(s)
Transformation 22.22 98.3 22.61
Generation 343.80 98.4 349.56
TOTAL 366.42 98.2 373.15
Warning perturbation number 1 will diverge
--- Stop Module: mclr at Tue Oct 20 08:50:54 2020 /rc=0 ---
--- Module mclr spent 7 minutes and 56 seconds
***
--- Start Module: alaska at Tue Oct 20 08:51:02 2020
接触量子化学不久,望各位大佬帮忙看看解决哈。log文件因太大无法上传
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S3.err
118.75 KB, 下载次数 Times of downloads: 2
错误文件
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S3.input
465 Bytes, 下载次数 Times of downloads: 9
输入文件
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