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
Combining rest=1 and rest=2 Category: Running MRCC Topic started 7 years 2 months ago, by Nike Last Post 7 years 2 months ago by kallay	Replies:3 Views:2784	Last Post by kallay 7 years 2 months ago
FCI does not work in some cases Category: Running MRCC Topic started 7 years 2 months ago, by leos Last Post 7 years 2 months ago by leos 1 2	Replies:8 Views:8128	Last Post by leos 7 years 2 months ago
local CCSD(T) does not converge Category: Running MRCC Topic started 7 years 2 months ago, by EugeneP Last Post 7 years 2 months ago by EugeneP	Replies:4 Views:3803	Last Post by EugeneP 7 years 2 months ago
Using DENSITY file for the restarting calc=SCF Category: Running MRCC Topic started 7 years 3 months ago, by nesquik91 Last Post 7 years 3 months ago by kallay	Replies:1 Views:3001	Last Post by kallay 7 years 3 months ago
Not recognizing symmetry properly Category: Running MRCC Topic started 7 years 3 months ago, by bkwx97 Last Post 7 years 3 months ago by bkwx97	Replies:2 Views:3043	Last Post by bkwx97 7 years 3 months ago
Choosing ccprog=ccsd via CFour interface Category: Running MRCC Topic started 7 years 3 months ago, by jskennyu Last Post 7 years 3 months ago by jskennyu	Replies:4 Views:3789	Last Post by jskennyu 7 years 3 months ago
Seg fault in CCSDTQP NMR calculation Category: Running MRCC Topic started 7 years 6 months ago, by d2wilson Last Post 7 years 6 months ago by kallay	Replies:2 Views:4162	Last Post by kallay 7 years 6 months ago
Possible bug in properties module ? Category: Running MRCC Topic started 7 years 6 months ago, by SBehnle Last Post 7 years 6 months ago by SBehnle	Replies:2 Views:3521	Last Post by SBehnle 7 years 6 months ago
Strange DFT problem Category: Running MRCC Topic started 7 years 6 months ago, by bakowies Last Post 7 years 6 months ago by bakowies	Replies:4 Views:3665	Last Post by bakowies 7 years 6 months ago
The mystery of the change in memory requirements Category: Running MRCC Topic started 7 years 7 months ago, by Nike Last Post 7 years 7 months ago by Nike	Replies:1 Views:3205	Last Post by Nike 7 years 7 months ago
Slow AO to MO transformation Category: Running MRCC Topic started 7 years 7 months ago, by Nike Last Post 7 years 7 months ago by Nike	Replies:0 Views:3181	Last Post by Nike 7 years 7 months ago
optalg=bfgs not working with basopt? Category: Running MRCC Topic started 7 years 9 months ago, by Nike Last Post 7 years 8 months ago by Nike 1 2	Replies:6 Views:7368	Last Post by Nike 7 years 8 months ago
Strange results with cc-pcvtz vs. aug-cc-pcvtz Category: Running MRCC Topic started 7 years 9 months ago, by bkwx97 Last Post 7 years 9 months ago by bkwx97	Replies:2 Views:3210	Last Post by bkwx97 7 years 9 months ago
No SCF convergence -> CC energies + mem for LRCC Category: Running MRCC Topic started 7 years 9 months ago, by rayultine Last Post 7 years 9 months ago by rayultine	Replies:4 Views:4102	Last Post by rayultine 7 years 9 months ago
CC3 oscillator strength Category: Running MRCC Topic started 9 years 6 months ago, by achin Last Post 7 years 10 months ago by kallay 1 2	Replies:6 Views:9950	Last Post by kallay 7 years 10 months ago
Setting a scratch directory? Category: Running MRCC Topic started 7 years 10 months ago, by bkwx97 Last Post 7 years 10 months ago by jcsontos	Replies:1 Views:6980	Last Post by jcsontos 7 years 10 months ago
printing MO coefficients? Category: Running MRCC Topic started 7 years 11 months ago, by rayultine Last Post 7 years 11 months ago by kallay 1 2	Replies:9 Views:8426	Last Post by kallay 7 years 11 months ago
Amber-MRCC dRPA Category: Running MRCC Topic started 7 years 11 months ago, by gyorgy.ferenczy Last Post 7 years 11 months ago by kallay	Replies:1 Views:3434	Last Post by kallay 7 years 11 months ago
Difference between molpro and mrcc fci Category: Running MRCC Topic started 8 years 6 days ago, by cwang Last Post 7 years 11 months ago by cwang	Replies:4 Views:4741	Last Post by cwang 7 years 11 months ago
User-defined basis set Category: Running MRCC Topic started 8 years 1 week ago, by cwang Last Post 8 years 1 week ago by cwang	Replies:2 Views:3543	Last Post by cwang 8 years 1 week ago

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Running MRCC 190 topics

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