subject:"\[Wien\] WIEN2k_17.1"

Re: [Wien] WIEN2k_17.1

2017-09-21 Thread tran

Quan wrote: Date: Thu, 21 Sep 2017 11:53:08 From: Yundi Quan <yq...@ucdavis.edu> Reply-To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> Subject: Re: [Wien] WIEN2k_17.1 Should the

Re: [Wien] WIEN2k_17.1

2017-09-21 Thread pieper

Hi Pavel, if this is not the trivial missing space, this looks to me as if libxc's ./config has difficulties with f90 files for your ifort. What's your ifort version? Maybe try to run ./config without any parameters and look what it says about the compilers it finds. Thats what the

Re: [Wien] WIEN2k_17.1

2017-09-21 Thread Yundi Quan

Should there be a space between "ifort" and "--prefix"? "./configure FC=ifort --prefix=$LIBXCDIR" On Thu, Sep 21, 2017 at 2:41 AM, wrote: > Dear WIEN users, > > I successfully compiled WIEN2k_17.1 with the exception of lapw0. As > required in User's Guide (11.1.2) I downloaded

[Wien] WIEN2k_17.1

2017-09-21 Thread novakp

Dear WIEN users, I successfully compiled WIEN2k_17.1 with the exception of lapw0. As required in User's Guide (11.1.2) I downloaded libxc-3.00. However, after ./configure FC=ifort--prefix=$LIBXCDIR error appeared: checking for Fortran flag to compile .f90 files... unknown configure: error: