This might be a recent addition if "-1" in the def, I will leave it to Peter..
--- Prof Laurence Marks "Research is to see what everyone else has seen, and to think what nobody else has thought", Albert Szent-Györgyi www.numis.northwestern.edu On Sat, May 29, 2021, 09:43 Hamza Bouafia <[email protected]> wrote: > Dear Prof. L. Marks, > I carried out several tests and I noticed that the program crach only in > parallel mode, and here is the error message obtained after: > x lapw1 -p > x qtl -p > ############# error message > running QTL in parallel mode > calculating QTL's from parallel vectors > so: Undefined variable. > 0.014u 0.022s 0:00.02 150.0% 0+0k 0+24io 0pf+0w > error: command /home/job/Wien2k/qtlpara -c qtl.def failed > ############ > i think the error is in qtlpara file and not qtl program. > in attached file you find the error and def files > for the version, of course, it's 21.1 > for my previous message, I ask you to ignore it because the error was > obvious because I launched x qtl after a parallel calculation of lapw1 > Sincerely > > Le sam. 29 mai 2021 à 14:24, Laurence Marks <[email protected]> a > écrit : > >> Before Peter asks, is this 21.1 & what is in qtl.def ? >> >> --- >> Prof Laurence Marks >> "Research is to see what everyone else has seen, and to think what nobody >> else has thought", Albert Szent-Györgyi >> www.numis.northwestern.edu >> >> On Sat, May 29, 2021, 07:19 Hamza Bouafia <[email protected]> wrote: >> >>> Dear Prof. P. Blaha, >>> >>> I think there is a bug in qtl program (x qtl) for non-magnetic >>> calculations, it is trying to open case.vectordn file instead of >>> case.vector. >>> >>> The error message in qtl.error file : >>> >>> 'QTL' - can't open unit: >>> 10 >>> >>> 'QTL' - filename: >>> ./CuInS2.vectordn >>> >>> 'QTL' - status: unknown form: unformatted >>> >>> Sincerely >>> >>> H.BOUAFIA >>> _______________________________________________ >>> Wien mailing list >>> [email protected] >>> >>> https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!CaOlkFV55iKhSmfeUfWBY36Six1dlzjPp90th4uVzq7CakFRAFfO9jZN2TgKqI88VfybkQ$ >>> SEARCH the MAILING-LIST at: >>> https://urldefense.com/v3/__http://www.mail-archive.com/[email protected]/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!CaOlkFV55iKhSmfeUfWBY36Six1dlzjPp90th4uVzq7CakFRAFfO9jZN2TgKqI_sClQsVA$ >>> >> _______________________________________________ >> Wien mailing list >> [email protected] >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >> <https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!HO5quZ6p1le72s28RglLHd9tAN_cmnFUaXg2GGxscVkl1I7s2OZKJ9-0Rc_SEILwAPB_ag$> >> SEARCH the MAILING-LIST at: >> http://www.mail-archive.com/[email protected]/index.html >> <https://urldefense.com/v3/__http://www.mail-archive.com/[email protected]/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!HO5quZ6p1le72s28RglLHd9tAN_cmnFUaXg2GGxscVkl1I7s2OZKJ9-0Rc_SEILetU2k8g$> >> > _______________________________________________ > Wien mailing list > [email protected] > > https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!HO5quZ6p1le72s28RglLHd9tAN_cmnFUaXg2GGxscVkl1I7s2OZKJ9-0Rc_SEILwAPB_ag$ > SEARCH the MAILING-LIST at: > https://urldefense.com/v3/__http://www.mail-archive.com/[email protected]/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!HO5quZ6p1le72s28RglLHd9tAN_cmnFUaXg2GGxscVkl1I7s2OZKJ9-0Rc_SEILetU2k8g$ >
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