Search found 4 matches

by kannar
04 May 2014, 12:10
Forum: Running Dalton
Topic: Restarting CCEXCI calculations
Replies: 0
Views: 5581

Restarting CCEXCI calculations

Dear All,

I would like to ask that is it possible to restart a Coupled Cluster Excited State calculation (CCEXCI) and the following Transition moment calculation (CCLRSD) after a system shutdown. The converged CCRE_x_y/CCLE_x_y vectors can be used for the new calculations somehow?

Thanks,
Daniel
by kannar
13 Mar 2014, 09:47
Forum: Installing Dalton
Topic: error with ctest and exit code 139
Replies: 9
Views: 29586

Re: error with ctest and exit code 139

Dear Radovan,

thank you for the help. I compiled with the ifort/icc/icpc option and now I dont get any faluire with ctest or with my own jobs.

Regards,
Daniel
by kannar
13 Feb 2014, 22:55
Forum: Installing Dalton
Topic: error with ctest and exit code 139
Replies: 9
Views: 29586

Re: error with ctest and exit code 139

Dear Radovan, Yes, I also tried the "ctest --force-new-ctest-process" command, but the result is the same as by ctest. After running a single test job, it still failed to pass and the log file did not contain any information about why it stopped. It just simply terminates with the character table pa...
by kannar
12 Feb 2014, 18:54
Forum: Installing Dalton
Topic: error with ctest and exit code 139
Replies: 9
Views: 29586

error with ctest and exit code 139

Dear All, after I installed the program, I run the testing with 'make test' command and this way the test jobs are passed. But when I tried to do this simply with the 'ctest' command, all the test jobs are failed. This happened also when I try to run a test job manually, so here is the resulting out...