[Pw_forum] [qe-gpu]

[Ari P Seitsonen]

Dear kanubhav(?),

   (Please name and affiliation)

   MKL is a commercial product from Intel; it is searched because it is 
expected to provide more or less the best efficiency. If you do not 
have access to it (a campus license for example), other possibilities to 
obtain optimised libraries are for example ACML from AMD (in particular 
for the AMD processors - no cost), self-optimised or Ubuntu-ATLAS (I do 
not know how well the pre-optimised packets from Ubuntu are), 
libGOTO/GOTOBLAS, etc. If you do not provide any of those, standard, 
not-really-that-optimal versions are compiled (please make sure that at 
least optimal instruction set is used - for example AVX/AVX2 instructions 
can benefit the speed quite much). If your serial compilation - probably 
you mean one without the GPU/CUDA - worked, the standard libraries were 
probably used.

   The instructions how to make the configure script to find the wanted 
BLAS/LAPACK libraries are in the documentation.

   The problem is rather that 'nvcc' is not found - are you sure that CUDA 
is installed on your machine?

     Greetings,

        apsi

-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
   Ari Paavo Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
   Ecole Normale Supérieure (ENS), Département de Chimie, Paris
   Mobile (F) : +33 789 37 24 25    (CH) : +41 79 71 90 935


On Sun, 24 May 2015, kanubhav at iitk.ac.in wrote:

> Dear QE users
>
> I was configuring  qe-gpu 14.10.0 with espresso-5.1.2 on ubuntu 14.04
> .Serial Configuration was successful, however i am getting the following
>
>
> checking for library containing dgemm... no
> MKL not found
> checking for none/libacml_mp.a... no
> in /opt/intel/Compiler/*/*/mkl/lib/em64t: checking for library containing
> dgemm... no
> MKL not found
> checking for /opt/intel/Compiler/*/*/mkl/lib/em64t/libacml_mp.a... no
> in /opt/intel/mkl/*/lib/em64t: checking for library containing dgemm... no
> MKL not found
> checking for /opt/intel/mkl/*/lib/em64t/libacml_mp.a... no
> in /opt/intel/mkl*/lib/em64t: checking for library containing dgemm... no
> MKL not found
> checking for /opt/intel/mkl*/lib/em64t/libacml_mp.a... no
> in /opt/intel/mkl/lib: checking for library containing dgemm... no
> MKL not found
> checking for /opt/intel/mkl/lib/libacml_mp.a... no
> checking for library containing dgemm... no
> in /usr/local/lib: checking for library containing dgemm... no
> checking for library containing dgemm... no
> in /usr/local/lib: checking for library containing dgemm... no
> checking for library containing dspev... no
> in /usr/local/lib: checking for library containing dspev... no
> setting BLAS_LIBS...
> /home/anubhav/Downloads/espresso-5.1.2/GPU/..//BLAS/blas.a
> setting LAPACK_LIBS...
> /home/anubhav/Downloads/espresso-5.1.2/GPU/..//lapack-3.2/lapack.a
> setting FFT_LIBS...
> setting MASS_LIBS...
> setting MPI_LIBS...
> setting SCALAPACK_LIBS...
> checking for nvcc... no
>
> Is anything wrong? Can anyone tell me how to solve this and how to install
> mkl library as i didn't find it anywhere?
>
>
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