Running MRCC 190 topics

How to prepare input files and run them with MRCC.

If you have problems during the execution of MRCC, please attach the output with an adequate description of your case as well as the followings:

the way mrcc was invoked

the way build.mrcc was invoked

the output of build.mrcc

compiler version (for example: ifort -V, gfortran -v)

blas/lapack versions

as well as gcc and glibc versions

This information really helps us during troubleshooting

Subject	Replies / Views	Last Post
Another restarting issue? Category: Running MRCC Topic started 4 years 8 months ago, by Edums Last Post 4 years 8 months ago by kallay	Replies:1 Views:2064	Last Post by kallay 4 years 8 months ago
restarting issue Category: Running MRCC Topic started 4 years 9 months ago, by prasenjitseal Last Post 4 years 9 months ago by Nike	Replies:2 Views:2145	Last Post by Nike 4 years 9 months ago
interfacing with cfour for dynamic polarizability Category: Running MRCC Topic started 4 years 9 months ago, by ankit7540 Last Post 4 years 9 months ago by ankit7540	Replies:2 Views:2185	Last Post by ankit7540 4 years 9 months ago
restart a calculation using rest=3 Category: Running MRCC Topic started 4 years 9 months ago, by yanmeiyu Last Post 4 years 9 months ago by yanmeiyu	Replies:2 Views:2100	Last Post by yanmeiyu 4 years 9 months ago
memory size for an openmp or openmpi job Category: Running MRCC Topic started 4 years 9 months ago, by yanmeiyu Last Post 4 years 9 months ago by yanmeiyu 1 2	Replies:6 Views:5475	Last Post by yanmeiyu 4 years 9 months ago
Oscillator strength for LR-CCSD Category: Running MRCC Topic started 4 years 9 months ago, by Edums Last Post 4 years 9 months ago by Edums	Replies:2 Views:1997	Last Post by Edums 4 years 9 months ago
XMRCC error Category: Running MRCC Topic started 4 years 9 months ago, by prasenjitseal Last Post 4 years 9 months ago by kallay	Replies:1 Views:2206	Last Post by kallay 4 years 9 months ago
A running error for the P state Category: Running MRCC Topic started 4 years 10 months ago, by yanmeiyu Last Post 4 years 9 months ago by yanmeiyu	Replies:3 Views:1853	Last Post by yanmeiyu 4 years 9 months ago
property calculation via Dirac interface Category: Running MRCC Topic started 4 years 10 months ago, by yanmeiyu Last Post 4 years 10 months ago by yanmeiyu	Replies:4 Views:1947	Last Post by yanmeiyu 4 years 10 months ago
Feed in ORCA gbw file as initial guess for CCSDT calculations Category: Running MRCC Topic started 5 years 3 weeks ago, by duanchenru Last Post 4 years 10 months ago by SBehnle	Replies:1 Views:2831	Last Post by SBehnle 4 years 10 months ago
Fatal error in cp VARS VARS.old. Category: Running MRCC Topic started 4 years 10 months ago, by yanmeiyu Last Post 4 years 10 months ago by yanmeiyu	Replies:2 Views:1973	Last Post by yanmeiyu 4 years 10 months ago
Invalid spatial symmetry Category: Running MRCC Topic started 4 years 10 months ago, by SNorth Last Post 4 years 10 months ago by kallay	Replies:2 Views:2044	Last Post by kallay 4 years 10 months ago
Print basis set details? Category: Running MRCC Topic started 4 years 11 months ago, by jamont137 Last Post 4 years 11 months ago by jamont137	Replies:2 Views:1964	Last Post by jamont137 4 years 11 months ago
Problem in running CCSDT(Q) Category: Running MRCC Topic started 4 years 11 months ago, by prasenjitseal Last Post 4 years 11 months ago by kallay	Replies:5 Views:2168	Last Post by kallay 4 years 11 months ago
Background Charges and dipoles Category: Running MRCC Topic started 5 years 23 hours ago, by Edums Last Post 4 years 11 months ago by mesterdavid 1 2	Replies:6 Views:5374	Last Post by mesterdavid 4 years 11 months ago
Interface with Psi Category: Running MRCC Topic started 5 years 22 hours ago, by Edums Last Post 5 years 22 hours ago by kallay	Replies:1 Views:1880	Last Post by kallay 5 years 22 hours ago
Basis set specification error Category: Running MRCC Topic started 5 years 2 weeks ago, by prasenjitseal Last Post 5 years 1 week ago by nagypeter 1 2 3	Replies:14 Views:9640	Last Post by nagypeter 5 years 1 week ago
Strange scf convergence between CCSDT and CCSD(T) scf for Iron Category: Running MRCC Topic started 5 years 9 months ago, by bkwx97 Last Post 5 years 1 month ago by Nike 1 2 3 ... 6	Replies:32 Views:16.1k	Last Post by Nike 5 years 1 month ago
Acceleration in CCSDT calculation Category: Running MRCC Topic started 5 years 1 month ago, by duanchenru Last Post 5 years 1 month ago by duanchenru 1 2	Replies:11 Views:7708	Last Post by duanchenru 5 years 1 month ago
CC(1)(2) Category: Running MRCC Topic started 5 years 1 month ago, by Nike Last Post 5 years 1 month ago by Nike	Replies:2 Views:2356	Last Post by Nike 5 years 1 month ago

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Running MRCC 190 topics

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