Running MRCC 129 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
ccprog=ccsd fails for dens=2 Topic started 5 years 2 days ago, by jskennyu Last Post 5 years 1 day ago by kallay	Replies:3 Views:2145	Last Post by kallay 5 years 1 day ago
VERSION ERROR of libiomp5.so library Topic started 5 years 2 weeks ago, by Ziaei Last Post 5 years 2 weeks ago by Ziaei	Replies:5 Views:6180	Last Post by Ziaei 5 years 2 weeks ago
Multi-reference CC example input Topic started 5 years 3 weeks ago, by Yuan_Liu Last Post 5 years 3 weeks ago by kallay	Replies:3 Views:3805	Last Post by kallay 5 years 3 weeks ago
Relaxed CCDENSITIES Topic started 5 years 1 month ago, by pdem Last Post 5 years 1 month ago by pdem 1 2	Replies:6 Views:4986	Last Post by pdem 5 years 1 month ago
Problems requesting large memory for CCSDT(Q) Topic started 6 years 7 months ago, by bakowies Last Post 5 years 3 months ago by kallay 1 2	Replies:9 Views:8394	Last Post by kallay 5 years 3 months ago
RHF Discrepancy between MRCC and MOLPRO Topic started 5 years 3 months ago, by Nike Last Post 5 years 3 months ago by Nike	Replies:2 Views:2245	Last Post by Nike 5 years 3 months ago
Backspace error in the testing suite jobs Topic started 5 years 6 months ago, by dolgonos Last Post 5 years 6 months ago by dolgonos	Replies:2 Views:2531	Last Post by dolgonos 5 years 6 months ago
Initial Guess Topic started 5 years 6 months ago, by ccqc Last Post 5 years 6 months ago by kallay	Replies:1 Views:2229	Last Post by kallay 5 years 6 months ago
OMP MRCC hanging process Topic started 6 years 2 weeks ago, by lixpas Last Post 6 years 2 weeks ago by kallay	Replies:1 Views:2281	Last Post by kallay 6 years 2 weeks ago
how to define maxact Topic started 6 years 1 month ago, by yanmeiyu Last Post 6 years 3 weeks ago by yanmeiyu 1 2 3	Replies:14 Views:7231	Last Post by yanmeiyu 6 years 3 weeks ago
poor performance of OpenMP version Topic started 6 years 1 month ago, by kipeters Last Post 6 years 1 month ago by kallay 1 2	Replies:6 Views:5254	Last Post by kallay 6 years 1 month ago
"Invalid spatial symmetry!" problem in CCSD(T) Topic started 6 years 1 month ago, by mradon Last Post 6 years 1 month ago by mradon	Replies:2 Views:2372	Last Post by mradon 6 years 1 month ago
Running MRCC optimizations in a stepwise fashion Topic started 6 years 11 months ago, by rayultine Last Post 6 years 2 months ago by kallay 1 2 3	Replies:17 Views:10.2k	Last Post by kallay 6 years 2 months ago
dirac interface-- Fatal error in mrcc. Topic started 6 years 2 months ago, by yanmeiyu Last Post 6 years 2 months ago by yanmeiyu 1 2 3	Replies:13 Views:7190	Last Post by yanmeiyu 6 years 2 months ago
Problems: C atom, cc-pV5Z basis set Topic started 6 years 3 months ago, by bakowies Last Post 6 years 3 months ago by kallay	Replies:1 Views:2442	Last Post by kallay 6 years 3 months ago
Problems with CCSDT restart Topic started 6 years 6 months ago, by bakowies Last Post 6 years 6 months ago by kallay	Replies:2 Views:2882	Last Post by kallay 6 years 6 months ago
basis set problem Topic started 6 years 11 months ago, by Ziaei Last Post 6 years 11 months ago by kallay 1 2	Replies:9 Views:5471	Last Post by kallay 6 years 11 months ago
Error at termination of mrcc 2 Topic started 7 years 1 week ago, by tamas821 Last Post 7 years 5 days ago by kallay 1 2	Replies:6 Views:5988	Last Post by kallay 7 years 5 days ago
Problems running MPI version of MRCC after MOLPRO Topic started 7 years 3 months ago, by valerie_vallet Last Post 7 years 6 days ago by kallay 1 2 3	Replies:12 Views:10.7k	Last Post by kallay 7 years 6 days ago
calculation of core excitation energy Topic started 7 years 2 weeks ago, by achin Last Post 7 years 2 weeks ago by achin	Replies:4 Views:3541	Last Post by achin 7 years 2 weeks ago

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Running MRCC 129 topics

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