Re: [Wien] join_vectorfiles error

are.intel.com/en- >> us/articles/intel-parallel-studio-xe-2019-beta ]; so, I don't know how >> well that will fix (or break) WIEN2k code when it is released in the near >> future. >> On 8/1/2018 10:34 PM, Lagoun brahim wrote: >> >> dear Prof Blaha and user's >>

Re: [Wien] join_vectorfiles error

w > well that will fix (or break) WIEN2k code when it is released in the near > future. > On 8/1/2018 10:34 PM, Lagoun brahim wrote: > > dear Prof Blaha and user's > i got this error message when using join_vectorfiles utilities programme > > join_vectorfiles -up -c ZnS-2-2 27 >

Re: [Wien] BoltzTraP transport properties

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 >

Re: [Wien] BoltzTraP transport properties

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.

[Wien] BoltzTraP transport properties

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 =

[Wien] (no subject)

Dear Prof. Blaha and Wien2k users i have compiling the parallel part of wien2k_09.2 but when i run the run_lapw comande? i get this message any suggestion and help please i have a duelcore proce with opensuse 10.3 64bits, fortran compiler ifort, c compiler icc +mkl libraries and mpich2

[Wien] parallel

Dear Prof. Blaha and Wien2k users i have compiling the parallel part of wien2k_09.2 but when i run the run_lapw comande? i get this message any suggestion and help please i have a duelcore proce with opensuse 10.3 64bits, fortran compiler ifort, c compiler icc +mkl libraries and mpich2

[Wien] compilation error

dear wien2k user's i have a SMP machine when i compile the lapw(0.1.2)para i have the following message of error: W2kinit.F(28): error #5102: Cannot open include file 'mkl_vml.fi' ?? include 'mkl_vml.fi' ---^ compilation aborted for W2kinit.F (code 1) make[1]: *** [W2kinit.o]