Running MRCC 203 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
XMRCC error Category: Running MRCC Topic started 5 years 8 months ago, by prasenjitseal Last Post 5 years 8 months ago by kallay	Replies:1 Views:2901	Last Post by kallay 5 years 8 months ago
A running error for the P state Category: Running MRCC Topic started 5 years 8 months ago, by yanmeiyu Last Post 5 years 8 months ago by yanmeiyu	Replies:3 Views:2480	Last Post by yanmeiyu 5 years 8 months ago
property calculation via Dirac interface Category: Running MRCC Topic started 5 years 9 months ago, by yanmeiyu Last Post 5 years 9 months ago by yanmeiyu	Replies:4 Views:2645	Last Post by yanmeiyu 5 years 9 months ago
Feed in ORCA gbw file as initial guess for CCSDT calculations Category: Running MRCC Topic started 5 years 11 months ago, by duanchenru Last Post 5 years 9 months ago by SBehnle	Replies:1 Views:3574	Last Post by SBehnle 5 years 9 months ago
Fatal error in cp VARS VARS.old. Category: Running MRCC Topic started 5 years 9 months ago, by yanmeiyu Last Post 5 years 9 months ago by yanmeiyu	Replies:2 Views:2568	Last Post by yanmeiyu 5 years 9 months ago
Invalid spatial symmetry Category: Running MRCC Topic started 5 years 9 months ago, by SNorth Last Post 5 years 9 months ago by kallay	Replies:2 Views:2697	Last Post by kallay 5 years 9 months ago
Print basis set details? Category: Running MRCC Topic started 5 years 10 months ago, by jamont137 Last Post 5 years 10 months ago by jamont137	Replies:2 Views:2589	Last Post by jamont137 5 years 10 months ago
Problem in running CCSDT(Q) Category: Running MRCC Topic started 5 years 10 months ago, by prasenjitseal Last Post 5 years 10 months ago by kallay	Replies:5 Views:2811	Last Post by kallay 5 years 10 months ago
Background Charges and dipoles Category: Running MRCC Topic started 5 years 11 months ago, by Edums Last Post 5 years 10 months ago by mesterdavid 1 2	Replies:6 Views:7211	Last Post by mesterdavid 5 years 10 months ago
Interface with Psi Category: Running MRCC Topic started 5 years 11 months ago, by Edums Last Post 5 years 11 months ago by kallay	Replies:1 Views:2590	Last Post by kallay 5 years 11 months ago
Basis set specification error Category: Running MRCC Topic started 5 years 11 months ago, by prasenjitseal Last Post 5 years 11 months ago by nagypeter 1 2 3	Replies:14 Views:12.1k	Last Post by nagypeter 5 years 11 months ago
Strange scf convergence between CCSDT and CCSD(T) scf for Iron Category: Running MRCC Topic started 6 years 8 months ago, by bkwx97 Last Post 6 years 4 days ago by Nike 1 2 3 ... 6	Replies:32 Views:20.7k	Last Post by Nike 6 years 4 days ago
Acceleration in CCSDT calculation Category: Running MRCC Topic started 6 years 2 weeks ago, by duanchenru Last Post 6 years 5 days ago by duanchenru 1 2	Replies:11 Views:9762	Last Post by duanchenru 6 years 5 days ago
CC(1)(2) Category: Running MRCC Topic started 6 years 2 weeks ago, by Nike Last Post 6 years 2 weeks ago by Nike	Replies:2 Views:2967	Last Post by Nike 6 years 2 weeks ago
segmentation fault with mp2 natural orbitals Category: Running MRCC Topic started 6 years 5 months ago, by bkwx97 Last Post 6 years 3 months ago by rolik	Replies:1 Views:3149	Last Post by rolik 6 years 3 months ago
MRCI with Molpro and MRCC Category: Running MRCC Topic started 6 years 6 months ago, by aannabe Last Post 6 years 6 months ago by kallay	Replies:1 Views:3000	Last Post by kallay 6 years 6 months ago
Problem with BASIS Category: Running MRCC Topic started 6 years 6 months ago, by rayxalapa Last Post 6 years 6 months ago by kallay	Replies:1 Views:3230	Last Post by kallay 6 years 6 months ago
Error mrcc2019 frequencies DFT Category: Running MRCC Topic started 6 years 7 months ago, by rayxalapa Last Post 6 years 7 months ago by kallay	Replies:1 Views:2810	Last Post by kallay 6 years 7 months ago
DFT geometry optimizations Category: Running MRCC Topic started 6 years 7 months ago, by bakowies Last Post 6 years 7 months ago by jcsontos	Replies:1 Views:3225	Last Post by jcsontos 6 years 7 months ago
CCSDTQ, multiplicity Category: Running MRCC Topic started 6 years 9 months ago, by marcingronowski Last Post 6 years 9 months ago by marcingronowski	Replies:0 Views:2996	Last Post by marcingronowski 6 years 9 months ago

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Running MRCC 203 topics

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