Dear all, I run nmr calcualtions for a borate mineral of probertite using the latest version of NMR module, however, I encoutered the following error message although I still got the NMR integration results. I am wondering if I can ignore these error messages, or I should fix it and run nmr calculations again?
EXECUTING: /global/software/wien2k-13-1/bin/nmr -case probertite-opt-DOS -mode current -green -scratch /scratch/ -noco MKL ERROR: Parameter 3 was incorrect on entry to ZGEMM . MKL ERROR: Parameter 3 was incorrect on entry to ZGEMM . MKL ERROR: Parameter 3 was incorrect on entry to ZGEMM . MKL ERROR: Parameter 3 was incorrect on entry to ZGEMM . MKL ERROR: Parameter 3 was incorrect on entry to ZGEMM . MKL ERROR: Parameter 3 was incorrect on entry to ZGEMM . MKL ERROR: Parameter 3 was incorrect on entry to ZGEMM . MKL ERROR: Parameter 3 was incorrect on entry to ZGEMM . MKL ERROR: Parameter 3 was incorrect on entry to ZGEMM . MKL ERROR: Parameter 3 was incorrect on entry to ZGEMM . MKL ERROR: Parameter 3 was incorrect on entry to ZGEMM . MKL ERROR: Parameter 3 was incorrect on entry to ZGEMM . MKL ERROR: Parameter 3 was incorrect on entry to ZGEMM . MKL ERROR: Parameter 3 was incorrect on entry to ZGEMM . MKL ERROR: Parameter 3 was incorrect on entry to ZGEMM . MKL ERROR: Parameter 3 was incorrect on entry to ZGEMM . MKL ERROR: Parameter 3 was incorrect on entry to ZGEMM . MKL ERROR: Parameter 3 was incorrect on entry to ZGEMM . MKL ERROR: Parameter 3 was incorrect on entry to ZGEMM . MKL ERROR: Parameter 3 was incorrect on entry to ZGEMM . _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
