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[求助]
求问Newton-X结合Turbomole计算时，出现以下报错该怎么解决？
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求问Newton-X结合Turbomole计算时，出现以下报错该怎么解决？ Starting dscf at Wed May 25 12:57:43 CST 2022 Finished dscf successfuly at Wed May 25 12:58:09 CST 2022 --------------------------------------------------------------------------- --------------------------------------------------------------------------- Starting ricc2 at Wed May 25 12:58:09 CST 2022 Finished ricc2 successfuly at Wed May 25 13:00:27 CST 2022 --------------------------------------------------------------------------- --------------------------------------------------------------------------- Starting run_cioverlap_turbo.pl at Wed May 25 13:00:27 CST 2022 Finished run_cioverlap_turbo.pl with ERROR at Wed May 25 13:00:27 CST 2022 --------------------------------------------------------------------------- Finished run-turbo.pl with ERROR at Wed May 25 13:00:27 CST 2022 --------------------------------------------------------------------------- xx: ::ERROR:: step = 0 time = 0 fs Trying to save TEMP directory to ../DEBUG See also error messages in DEBUG/runnx.error "moldyn.log" 140L, 4929C |
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