Re: [Wien] Lapw1_mpi

2022-08-24 Thread Peter Blaha
All what I can find in your listing is at the bottom: This version of ELPA support the minimal API version: 20170403 The current API version is: 20220510 Could it be that you downloaded an old ELPA version ? If I remember correctly, the interface was changed at some time and very old ELPA vers

Re: [Wien] Lapw1_mpi

2022-08-24 Thread Peter Blaha
Did you compile elpa with oneapi ? I'd guess you used the default gfortran ?? Am 23.08.2022 um 12:18 schrieb sherif Yehia: Dear experts   I am setting wien2k_21    with oneapi fortran compiler  mpiifort Latest version of elpa was set up. Can our community point my  following mistakes m

[Wien] Lapw1_mpi

2022-08-23 Thread sherif Yehia
Dear experts I am setting wien2k_21with oneapi fortran compiler mpiifort Latest version of elpa was set up. Can our community point my following mistakes mpiifort -O -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -assume buffered_io -I/opt/intel/oneapi/mkl/2022.1.0/include -