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Does the 2020 release support reading from externally built fort.55?
2 years 2 months ago - 2 years 2 months ago #1162
by xwang862
Dear MRCC developers,
I learned from various sources that one can run MRCC with externally built integrals in the fort.55 format. So I put my fort.55 and MINP files in the same folder and execute dmrcc. My MINP file looks like this:
The job was immediately killed with an error:
But when I used the 2019 release, the job could run without a problem. Is this feature no longer supported in the 2020 version?
Best wishes,
Xiao
I learned from various sources that one can run MRCC with externally built integrals in the fort.55 format. So I put my fort.55 and MINP files in the same folder and execute dmrcc. My MINP file looks like this:
calc=CCSD
mem=500MB
nsing=2
verbosity=3
iface=cfour
The job was immediately killed with an error:
cp: cannot stat ‘VARS’: No such file or directory
Fatal error in cp VARS VARS.old. Program will stop.
But when I used the 2019 release, the job could run without a problem. Is this feature no longer supported in the 2020 version?
Best wishes,
Xiao
Last edit: 2 years 2 months ago by xwang862.
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