[Wien] Need help - Installation steps for BoltzTraP

Gavin Abo gsabo at crimson.ua.edu
Thu Jan 22 09:56:46 CET 2015


It does sound like a problem with the setting of the environment.  You 
should consult your operating system documentation on how to set the 
environment so that it can find the libblas.so.3gf on your system.  
Usually, that involves setting an environmental variable in .bashrc or 
setting a location in a conf file.  Or another way can be to change the 
compile settings so that they libraries are compiled into the executable 
instead of just linked to them [ 
http://en.wikipedia.org/wiki/Static_build ].

However, if WIEN2k works, I think BoltzTraP should work too.  Have you 
adjusted the compile settings in the BoltzTraP Makefile so that they are 
the same (or similar) to the ones you have used for WIEN2k?

It seems like libblas.so.3gf might be from an operating system (OS) 
package, which might be a little unusual to link to.  As I think usually 
it is not linked against on from OS, but from one that comes with ifort 
or from complied from a source package like OpenBLAS.

On 1/21/2015 10:14 PM, Murugan Sundareswari wrote:
> Dear Wien2k users,
>
> We are using Wien2k 13.1 version through W2Web feature. We have been 
> using Wien without much issues. Now we wanted to implement BoltzTraP 
> code (VER V1.2.5) for studying the thermo electric properties.
>
> We have installed BLAS and LAPAK in our Suse based system. When we try 
> running the built in test samples given in BoltzTraP we get errors 
> that BoltzTraP is not able to find libblas.so.3gf.
>
> We are not sure if we have made some mistakes while setting 
> environment for the code.
>
> Could some one help us with the installation sequence and what are the 
> prerequisites (that I could have missed) for BoltzTraP please?
>
> Regards
> Parth


More information about the Wien mailing list