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
NTOs Category: Running MRCC Topic started 5 years 1 month ago, by Edums Last Post 4 years 10 months ago by Edums 1 2 3	Replies:12 Views:8878	Last Post by Edums 4 years 10 months ago
Another restarting issue? Category: Running MRCC Topic started 4 years 10 months ago, by Edums Last Post 4 years 10 months ago by kallay	Replies:1 Views:2138	Last Post by kallay 4 years 10 months ago
restarting issue Category: Running MRCC Topic started 4 years 10 months ago, by prasenjitseal Last Post 4 years 10 months ago by Nike	Replies:2 Views:2218	Last Post by Nike 4 years 10 months ago
interfacing with cfour for dynamic polarizability Category: Running MRCC Topic started 4 years 10 months ago, by ankit7540 Last Post 4 years 10 months ago by ankit7540	Replies:2 Views:2282	Last Post by ankit7540 4 years 10 months ago
restart a calculation using rest=3 Category: Running MRCC Topic started 4 years 11 months ago, by yanmeiyu Last Post 4 years 11 months ago by yanmeiyu	Replies:2 Views:2168	Last Post by yanmeiyu 4 years 11 months ago
memory size for an openmp or openmpi job Category: Running MRCC Topic started 4 years 11 months ago, by yanmeiyu Last Post 4 years 11 months ago by yanmeiyu 1 2	Replies:6 Views:5668	Last Post by yanmeiyu 4 years 11 months ago
Oscillator strength for LR-CCSD Category: Running MRCC Topic started 4 years 11 months ago, by Edums Last Post 4 years 11 months ago by Edums	Replies:2 Views:2073	Last Post by Edums 4 years 11 months ago
XMRCC error Category: Running MRCC Topic started 4 years 11 months ago, by prasenjitseal Last Post 4 years 11 months ago by kallay	Replies:1 Views:2285	Last Post by kallay 4 years 11 months ago
A running error for the P state Category: Running MRCC Topic started 4 years 11 months ago, by yanmeiyu Last Post 4 years 11 months ago by yanmeiyu	Replies:3 Views:1925	Last Post by yanmeiyu 4 years 11 months ago
property calculation via Dirac interface Category: Running MRCC Topic started 5 years 2 weeks ago, by yanmeiyu Last Post 4 years 11 months ago by yanmeiyu	Replies:4 Views:2022	Last Post by yanmeiyu 4 years 11 months ago
Feed in ORCA gbw file as initial guess for CCSDT calculations Category: Running MRCC Topic started 5 years 2 months ago, by duanchenru Last Post 5 years 4 days ago by SBehnle	Replies:1 Views:2906	Last Post by SBehnle 5 years 4 days ago
Fatal error in cp VARS VARS.old. Category: Running MRCC Topic started 5 years 3 weeks ago, by yanmeiyu Last Post 5 years 3 weeks ago by yanmeiyu	Replies:2 Views:2037	Last Post by yanmeiyu 5 years 3 weeks ago
Invalid spatial symmetry Category: Running MRCC Topic started 5 years 3 weeks ago, by SNorth Last Post 5 years 3 weeks ago by kallay	Replies:2 Views:2123	Last Post by kallay 5 years 3 weeks ago
Print basis set details? Category: Running MRCC Topic started 5 years 1 month ago, by jamont137 Last Post 5 years 1 month ago by jamont137	Replies:2 Views:2034	Last Post by jamont137 5 years 1 month ago
Problem in running CCSDT(Q) Category: Running MRCC Topic started 5 years 1 month ago, by prasenjitseal Last Post 5 years 1 month ago by kallay	Replies:5 Views:2239	Last Post by kallay 5 years 1 month ago
Background Charges and dipoles Category: Running MRCC Topic started 5 years 1 month ago, by Edums Last Post 5 years 1 month ago by mesterdavid 1 2	Replies:6 Views:5575	Last Post by mesterdavid 5 years 1 month ago
Interface with Psi Category: Running MRCC Topic started 5 years 1 month ago, by Edums Last Post 5 years 1 month ago by kallay	Replies:1 Views:1969	Last Post by kallay 5 years 1 month ago
Basis set specification error Category: Running MRCC Topic started 5 years 2 months ago, by prasenjitseal Last Post 5 years 2 months ago by nagypeter 1 2 3	Replies:14 Views:9909	Last Post by nagypeter 5 years 2 months ago
Strange scf convergence between CCSDT and CCSD(T) scf for Iron Category: Running MRCC Topic started 5 years 11 months ago, by bkwx97 Last Post 5 years 3 months ago by Nike 1 2 3 ... 6	Replies:32 Views:16.6k	Last Post by Nike 5 years 3 months ago
Acceleration in CCSDT calculation Category: Running MRCC Topic started 5 years 3 months ago, by duanchenru Last Post 5 years 3 months ago by duanchenru 1 2	Replies:11 Views:7945	Last Post by duanchenru 5 years 3 months ago

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Running MRCC 190 topics

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