Re: [Wien] error message occurred in excuting current integration
Did you run x_nmr -mode in1first ? Such messages may occur when you did not calculate all eigenvalues but only up to a certain Emax. Am 28.03.2014 02:26, schrieb Robert Laskowski: Hi, I do not think you can ignore this. 3 parameter in ZGEMM is the size of the matrix which can be vector size or number of eigenvalues. And this should be correct. Check the energy files in nm_xxx subdirectories. regards Robert On 27 March 2014 AM 3:53:19 Bing Zhou wrote: 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 -- == Dr. Robert Laskowski Senior Scientist, Materials Science Engineering Department Institute of High Performance Computing, A*STAR 1 Fusionopolis Way, #16-16, Connexis, Singapore 138632 Tel(Off): +65. 64191493 Fax: +65. 64632536 = This email is confidential and may be privileged. If you are not the intended recipient, please delete it and notify us immediately. Please do not copy or use it for any purpose, or disclose its contents to any other person. Thank you. ___ 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 -- - Peter Blaha Inst. Materials Chemistry, TU Vienna Getreidemarkt 9, A-1060 Vienna, Austria Tel: +43-1-5880115671 Fax: +43-1-5880115698 email: pbl...@theochem.tuwien.ac.at - ___ 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
[Wien] error message occurred in excuting current integration
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
Re: [Wien] error message occurred in excuting current integration
Hi, I do not think you can ignore this. 3 parameter in ZGEMM is the size of the matrix which can be vector size or number of eigenvalues. And this should be correct. Check the energy files in nm_xxx subdirectories. regards Robert On 27 March 2014 AM 3:53:19 Bing Zhou wrote: 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 -- == Dr. Robert Laskowski Senior Scientist, Materials Science Engineering Department Institute of High Performance Computing, A*STAR 1 Fusionopolis Way, #16-16, Connexis, Singapore 138632 Tel(Off): +65. 64191493 Fax: +65. 64632536 = This email is confidential and may be privileged. If you are not the intended recipient, please delete it and notify us immediately. Please do not copy or use it for any purpose, or disclose its contents to any other person. Thank you. ___ 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
