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 2 months ago, by Edums Last Post 4 years 11 months ago by Edums 1 2 3	Replies:12 Views:9431	Last Post by Edums 4 years 11 months ago
Another restarting issue? Category: Running MRCC Topic started 4 years 11 months ago, by Edums Last Post 4 years 11 months ago by kallay	Replies:1 Views:2280	Last Post by kallay 4 years 11 months ago
restarting issue Category: Running MRCC Topic started 4 years 11 months ago, by prasenjitseal Last Post 4 years 11 months ago by Nike	Replies:2 Views:2359	Last Post by Nike 4 years 11 months ago
interfacing with cfour for dynamic polarizability Category: Running MRCC Topic started 4 years 11 months ago, by ankit7540 Last Post 4 years 11 months ago by ankit7540	Replies:2 Views:2422	Last Post by ankit7540 4 years 11 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:2306	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:6080	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:2217	Last Post by Edums 4 years 11 months ago
XMRCC error Category: Running MRCC Topic started 5 years 1 day ago, by prasenjitseal Last Post 5 years 1 day ago by kallay	Replies:1 Views:2422	Last Post by kallay 5 years 1 day ago
A running error for the P state Category: Running MRCC Topic started 5 years 1 week ago, by yanmeiyu Last Post 5 years 6 days ago by yanmeiyu	Replies:3 Views:2062	Last Post by yanmeiyu 5 years 6 days ago
property calculation via Dirac interface Category: Running MRCC Topic started 5 years 3 weeks ago, by yanmeiyu Last Post 5 years 1 week ago by yanmeiyu	Replies:4 Views:2160	Last Post by yanmeiyu 5 years 1 week 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 2 weeks ago by SBehnle	Replies:1 Views:3068	Last Post by SBehnle 5 years 2 weeks ago
Fatal error in cp VARS VARS.old. Category: Running MRCC Topic started 5 years 1 month ago, by yanmeiyu Last Post 5 years 1 month ago by yanmeiyu	Replies:2 Views:2178	Last Post by yanmeiyu 5 years 1 month ago
Invalid spatial symmetry Category: Running MRCC Topic started 5 years 1 month ago, by SNorth Last Post 5 years 1 month ago by kallay	Replies:2 Views:2262	Last Post by kallay 5 years 1 month 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:2175	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:2376	Last Post by kallay 5 years 1 month ago
Background Charges and dipoles Category: Running MRCC Topic started 5 years 2 months ago, by Edums Last Post 5 years 2 months ago by mesterdavid 1 2	Replies:6 Views:5988	Last Post by mesterdavid 5 years 2 months ago
Interface with Psi Category: Running MRCC Topic started 5 years 2 months ago, by Edums Last Post 5 years 2 months ago by kallay	Replies:1 Views:2111	Last Post by kallay 5 years 2 months 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:10.5k	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:17.6k	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:8357	Last Post by duanchenru 5 years 3 months ago

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Running MRCC 190 topics

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