Re: [Wien] lapw0_mpi compilation problem

2015-11-16 Thread Elias Assmann
On 11/16/2015 05:07 PM, Osama Yassin wrote: > /usr/lib64/libfftw3_mpi.so: undefined reference to `ompi_mpi_op_lor' It looks like your libfftw was compiled with Open MPI, … > current:RP_LIBS:-lmkl_scalapack_lp64 -lmkl_blacs_lp64 > -lmkl_blacs_intelmpi_lp64 $(R_LIBS) … but you are trying to

[Wien] lapw0_mpi compilation problem

2015-11-16 Thread Osama Yassin
Dear All I was using Wien2k 14.2 on opensuse 13.2 peacefully. I have upgraded the operating system to OpenSuse leap 42.1. In this version the FFTW3 appears to be downgraded to FFTW3.3.3... from FFTW3.3.4... When I complied Wien2k 14.2 using the previous OPTION file configuration I got the

Re: [Wien] Problem in scf launching !!

2015-11-16 Thread Brahim Abraime
Thank you for your answer, but the errors file is empty!! Brahim AbraimeDoctorant à MAScIR (Moroccan foundation for Advanced Science Innovation and Research)Doctorant au Laboratoire de Magnétisme et Physique des Hautes Energies (LMPHE)Faculté des Sciences RabatUniversité Mohamed 5 From:

[Wien] (no subject)

2015-11-16 Thread Osama Yassin
Dear All I was using Wien2k 14.2 on opensuse 13.2 peacefully. I have upgraded the operating system to OpenSuse leap 42.1. In this version the FFTW3 appears to be downgraded to FFTW3.3.3... from FFTW3.3.4... When I complied Wien2k 14.2 using the previous OPTION file configuration I got the

Re: [Wien] Problem in scf launching !!

2015-11-16 Thread Lyudmila Dobysheva
16.11.2015 14:25, Brahim Abraime wrote: *running dstart in single mode forrtl: severe (24): end-of-file during read, unit 81, file /home/user/WIEN2k/hexa.rsp* *0.0u 0.0s 0:00.05 40.0% 0+0k 0+40io 0pf+0w error: command /home/user/wien2k/dstartpara dstart.def failed n stop error n* Files

[Wien] prima.py v0.3.0 — Colorful band structures with Wien2k

2015-11-16 Thread Elias Assmann
Dear Wien2k users, This is to announce version 0.3.0 of `prima.py´ (http://eassmann.github.io/prima.py/), a tool to create color-coded band structure plots from Wien2k output built on top of Maurits Haverkort's SpaghettiPrimavera.f90. New features include: * options to combine spins in one

[Wien] Problem in scf launching !!

2015-11-16 Thread Brahim Abraime
Dear developpers and users, We are trying to run a self consistency calculation of a material with hexagonal structure, but we obtain this error: running dstart in single mode forrtl: severe (24): end-of-file during read, unit 81, file /home/user/WIEN2k/hexa.rsp 0.0u 0.0s 0:00.05 40.0% 0+0k