Running MRCC 195 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
MRCC crashes in MP2(full) calculation with external RI basis sets Category: Running MRCC Topic started 5 years 1 month ago, by bakowies Last Post 5 years 1 month ago by bakowies	Replies:5 Views:2429	Last Post by bakowies 5 years 1 month ago
open-shell singlet MRCCSD? Category: Running MRCC Topic started 5 years 1 month ago, by irikura Last Post 5 years 1 month ago by irikura	Replies:0 Views:2567	Last Post by irikura 5 years 1 month ago
Run standalone calculations with the Dirac-Coulomb Hamiltonian? Category: Running MRCC Topic started 5 years 1 month ago, by cwang Last Post 5 years 1 month ago by Nike	Replies:2 Views:2337	Last Post by Nike 5 years 1 month ago
Latest binary does not seem to work with Molpro 2015 Category: Running MRCC Topic started 5 years 1 month ago, by TiborGY Last Post 5 years 1 month ago by TiborGY	Replies:2 Views:2737	Last Post by TiborGY 5 years 1 month ago
Fail with fort.56 with symm=1 Category: Running MRCC Topic started 5 years 1 month ago, by yanmeiyu Last Post 5 years 1 month ago by yanmeiyu	Replies:4 Views:2432	Last Post by yanmeiyu 5 years 1 month ago
NTOs Category: Running MRCC Topic started 5 years 4 months ago, by Edums Last Post 5 years 1 month ago by Edums 1 2 3	Replies:12 Views:10.1k	Last Post by Edums 5 years 1 month ago
Another restarting issue? Category: Running MRCC Topic started 5 years 1 month ago, by Edums Last Post 5 years 1 month ago by kallay	Replies:1 Views:2414	Last Post by kallay 5 years 1 month ago
restarting issue Category: Running MRCC Topic started 5 years 1 month ago, by prasenjitseal Last Post 5 years 1 month ago by Nike	Replies:2 Views:2496	Last Post by Nike 5 years 1 month ago
interfacing with cfour for dynamic polarizability Category: Running MRCC Topic started 5 years 2 months ago, by ankit7540 Last Post 5 years 1 month ago by ankit7540	Replies:2 Views:2552	Last Post by ankit7540 5 years 1 month ago
restart a calculation using rest=3 Category: Running MRCC Topic started 5 years 2 months ago, by yanmeiyu Last Post 5 years 2 months ago by yanmeiyu	Replies:2 Views:2447	Last Post by yanmeiyu 5 years 2 months ago
memory size for an openmp or openmpi job Category: Running MRCC Topic started 5 years 2 months ago, by yanmeiyu Last Post 5 years 2 months ago by yanmeiyu 1 2	Replies:6 Views:6431	Last Post by yanmeiyu 5 years 2 months ago
Oscillator strength for LR-CCSD Category: Running MRCC Topic started 5 years 2 months ago, by Edums Last Post 5 years 2 months ago by Edums	Replies:2 Views:2356	Last Post by Edums 5 years 2 months ago
XMRCC error Category: Running MRCC Topic started 5 years 2 months ago, by prasenjitseal Last Post 5 years 2 months ago by kallay	Replies:1 Views:2556	Last Post by kallay 5 years 2 months ago
A running error for the P state Category: Running MRCC Topic started 5 years 2 months ago, by yanmeiyu Last Post 5 years 2 months ago by yanmeiyu	Replies:3 Views:2180	Last Post by yanmeiyu 5 years 2 months ago
property calculation via Dirac interface Category: Running MRCC Topic started 5 years 3 months ago, by yanmeiyu Last Post 5 years 2 months ago by yanmeiyu	Replies:4 Views:2301	Last Post by yanmeiyu 5 years 2 months ago
Feed in ORCA gbw file as initial guess for CCSDT calculations Category: Running MRCC Topic started 5 years 5 months ago, by duanchenru Last Post 5 years 3 months ago by SBehnle	Replies:1 Views:3245	Last Post by SBehnle 5 years 3 months ago
Fatal error in cp VARS VARS.old. Category: Running MRCC Topic started 5 years 3 months ago, by yanmeiyu Last Post 5 years 3 months ago by yanmeiyu	Replies:2 Views:2299	Last Post by yanmeiyu 5 years 3 months ago
Invalid spatial symmetry Category: Running MRCC Topic started 5 years 3 months ago, by SNorth Last Post 5 years 3 months ago by kallay	Replies:2 Views:2407	Last Post by kallay 5 years 3 months ago
Print basis set details? Category: Running MRCC Topic started 5 years 4 months ago, by jamont137 Last Post 5 years 4 months ago by jamont137	Replies:2 Views:2305	Last Post by jamont137 5 years 4 months ago
Problem in running CCSDT(Q) Category: Running MRCC Topic started 5 years 4 months ago, by prasenjitseal Last Post 5 years 4 months ago by kallay	Replies:5 Views:2507	Last Post by kallay 5 years 4 months ago

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Running MRCC 195 topics

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