Running MRCC 127 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
Choosing ccprog=ccsd via CFour interface Topic started 3 years 8 months ago, by jskennyu Last Post 3 years 8 months ago by jskennyu	Replies:4 Views:2271	Last Post by jskennyu 3 years 8 months ago
MO guess from other program Topic started 3 years 9 months ago, by jskennyu Last Post 3 years 9 months ago by kallay	Replies:4 Views:2014	Last Post by kallay 3 years 9 months ago
Seg fault in CCSDTQP NMR calculation Topic started 3 years 10 months ago, by d2wilson Last Post 3 years 10 months ago by kallay	Replies:2 Views:2499	Last Post by kallay 3 years 10 months ago
Possible bug in properties module ? Topic started 3 years 11 months ago, by SBehnle Last Post 3 years 11 months ago by SBehnle	Replies:2 Views:2011	Last Post by SBehnle 3 years 11 months ago
Strange DFT problem Topic started 3 years 11 months ago, by bakowies Last Post 3 years 11 months ago by bakowies	Replies:4 Views:2250	Last Post by bakowies 3 years 11 months ago
The mystery of the change in memory requirements Topic started 3 years 11 months ago, by Nike Last Post 3 years 11 months ago by Nike	Replies:1 Views:1728	Last Post by Nike 3 years 11 months ago
Slow AO to MO transformation Topic started 4 years 2 weeks ago, by Nike Last Post 4 years 2 weeks ago by Nike	Replies:0 Views:1742	Last Post by Nike 4 years 2 weeks ago
optalg=bfgs not working with basopt? Topic started 4 years 1 month ago, by Nike Last Post 4 years 1 month ago by Nike 1 2	Replies:6 Views:3597	Last Post by Nike 4 years 1 month ago
Strange results with cc-pcvtz vs. aug-cc-pcvtz Topic started 4 years 2 months ago, by bkwx97 Last Post 4 years 2 months ago by bkwx97	Replies:2 Views:1829	Last Post by bkwx97 4 years 2 months ago
No SCF convergence -> CC energies + mem for LRCC Topic started 4 years 2 months ago, by rayultine Last Post 4 years 2 months ago by rayultine	Replies:4 Views:2537	Last Post by rayultine 4 years 2 months ago
CC3 oscillator strength Topic started 5 years 11 months ago, by achin Last Post 4 years 2 months ago by kallay 1 2	Replies:6 Views:5648	Last Post by kallay 4 years 2 months ago
Setting a scratch directory? Topic started 4 years 3 months ago, by bkwx97 Last Post 4 years 3 months ago by jcsontos	Replies:1 Views:1896	Last Post by jcsontos 4 years 3 months ago
printing MO coefficients? Topic started 4 years 4 months ago, by rayultine Last Post 4 years 4 months ago by kallay 1 2	Replies:9 Views:4465	Last Post by kallay 4 years 4 months ago
Amber-MRCC dRPA Topic started 4 years 4 months ago, by gyorgy.ferenczy Last Post 4 years 4 months ago by kallay	Replies:1 Views:1877	Last Post by kallay 4 years 4 months ago
Difference between molpro and mrcc fci Topic started 4 years 4 months ago, by cwang Last Post 4 years 4 months ago by cwang	Replies:4 Views:2884	Last Post by cwang 4 years 4 months ago
User-defined basis set Topic started 4 years 4 months ago, by cwang Last Post 4 years 4 months ago by cwang	Replies:2 Views:2160	Last Post by cwang 4 years 4 months ago
Multi-reference CC active space setting for Sc2 Topic started 4 years 5 months ago, by ccu_tsai Last Post 4 years 5 months ago by ccu_tsai	Replies:2 Views:2033	Last Post by ccu_tsai 4 years 5 months ago
Less vir. orb. in CCSDT calculation with Molpro Topic started 4 years 7 months ago, by pjerabek Last Post 4 years 6 months ago by pjerabek 1 2	Replies:7 Views:4896	Last Post by pjerabek 4 years 6 months ago
ccprog=ccsd fails for dens=2 Topic started 4 years 10 months ago, by jskennyu Last Post 4 years 10 months ago by kallay	Replies:3 Views:2095	Last Post by kallay 4 years 10 months ago
VERSION ERROR of libiomp5.so library Topic started 4 years 10 months ago, by Ziaei Last Post 4 years 10 months ago by Ziaei	Replies:5 Views:6079	Last Post by Ziaei 4 years 10 months ago

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Running MRCC 127 topics

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