[Wien] Need help - Installation steps for BoltzTraP

[Murugan Sundareswari]

Hi Gavin

Thank you,

It helped and I am able to run Boltztrap, however I get factorization
error. Even as I attempt with the highest possible K points, same error
continues...

Could you advice....


On Thu, Jan 22, 2015 at 2:26 PM, Gavin Abo <gsabo at crimson.ua.edu> wrote:

> 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
>>
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