Thank you Gavin it work yes the problem is the NOCAL instead CAL thank you very much again
2017-07-21 3:49 GMT+02:00 Gavin Abo <gs...@crimson.ua.edu>: > Sounds like that fixed the problem for you [1]. If not, do you have NOCALC > instead of CALC in case.intrans [2,3]? > > [1] gather_energy.patch: http://www.mail-archive.com/ > wien@zeus.theochem.tuwien.ac.at/msg13418.html > > [2] http://www.mail-archive.com/wien%40zeus.theochem.tuwien. > ac.at/msg04755.html > > [3] http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac. > at/msg10740.html > On 7/20/2017 7:44 PM, Lagoun brahim wrote: > > thank you Karima > > I gathered the energy's files > > 2017-07-21 3:41 GMT+02:00 karima Physique <physique.kar...@gmail.com>: > >> If you run a parallel calculation, you must first lunch the command: >> gather_energy.pl >> >> 2017-07-21 3:35 GMT+02:00 Lagoun brahim <b.lag...@lagh-univ.dz>: >> >>> hallo every one >>> >>> i am doing a transport properties calculation with >>> (wien2k14.2+BoltzTraP 1.2.5) code but when i execute: x_trans BoltzTrP with >>> or without the flags: (-up or -dn or -so) i have the following error >>> message: >>> x_trans BoltzTraP >>> ================ BoltzTraP vs 1.2.5 ============= >>> LiFePO42 >>> >>> XXXXXXXX >>> forrtl: severe (24): end-of-file during read, unit 48, file >>> /home/LiFePO42/LiFePO42.engre >>> Image PC Routine Line >>> Source >>> BoltzTraP 000000000058BFBA Unknown Unknown >>> Unknown >>> BoltzTraP 000000000058AB35 Unknown Unknown >>> Unknown >>> BoltzTraP 00000000004BAC26 Unknown Unknown >>> Unknown >>> BoltzTraP 00000000004776E6 Unknown Unknown >>> Unknown >>> BoltzTraP 0000000000476E59 Unknown Unknown >>> Unknown >>> BoltzTraP 0000000000497EA4 Unknown Unknown >>> Unknown >>> BoltzTraP 00000000004084C3 bandstructure_mp_ 133 >>> m_bandstructure.F90 >>> BoltzTraP 00000000004126DA MAIN__ 266 >>> BoltzTraP.F90 >>> BoltzTraP 0000000000404A5C Unknown Unknown >>> Unknown >>> libc.so.6 00002AC5C7439B05 Unknown Unknown >>> Unknown >>> BoltzTraP 0000000000404959 Unknown Unknown >>> Unknown >>> 0.019u 0.006s 0:00.02 50.0% 0+0k 0+8io 0pf+0w >>> >>> >>> i use ifort compiler + mkl libraries (the same think when i compile the >>> code with gfortran compiler with blas and lapack) >>> any suggestion >>> the tests work very well >>> thank you in advance >>> >> > _______________________________________________ > 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 > >
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