From philipp.lucas at googlemail.com Tue Oct 4 03:49:21 2011 From: philipp.lucas at googlemail.com (Philipp Lucas) Date: Tue, 4 Oct 2011 10:49:21 +0900 Subject: [Wannier] Ubuntu10.04 and LAPACK Message-ID: Hi I've tried to run Wannier90 on my Ubuntu10.04 64bit using the repository version of LAPACK and BLAS - unsuccessfully. It compiles without any error. However, the test cases both fail saying: "Error in unitarity of initial U in overlap_project" I found this old post on the mailing list, which is exactly what happened to me: http://www.democritos.it/pipermail/wannier/2009-July/000242.html I double checked my library paths and build the wannier code again and again, but nothing helps. Also regardless of the compiler I use (I tried gfortran and mpif90). However, when I install ATLAS from the repositories and use ATLAS + LAPACK and the mpif90 compiler everything works fine. So, this post is just to confirm that there is a problem to get the repository versions of LAPACK, BLAS running with Wannier90 in ubuntu. And also to show how to get it working nevertheless... Regards Philipp -------------- next part -------------- An HTML attachment was scrubbed... URL: