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<p>Hello,</p>
<p>I'm trying to compile QE-GPU. I compile first QE parallel and
then I follow the steps suggested in README.txt<br>
</p>
I tried different ways but ever get an error<br>
<br>
<b>with internal libs</b><br>
<br>
./configure --prefix=$HOME --enable-parallel --with-scalapack
--enable-cuda --with-gpu-arch=sm_35 --with-cuda-dir=/opt/cuda
--with-magma --with-phigemm --with-internal-blas<br>
<br>
/usr/bin/ld:
/home/user/bin/espresso-5.4.0/GPU/..//BLAS/blas.a(dgemm.o):
relocation R_X86_64_32 against `.rodata' can not be used when making
a shared object; recompile with -fPIC<br>
/home/user/bin/espresso-5.4.0/GPU/..//BLAS/blas.a: could not read
symbols: Bad value<br>
collect2: ld devolvió el estado de salida 1<br>
make[3]: *** [shared] Error 1<br>
make[3]: se sale del directorio
`/home/user/bin/espresso-5.4.0/phiGEMM/src'<br>
make[2]: *** [phigemm] Error 2<br>
make[2]: se sale del directorio
`/home/user/bin/espresso-5.4.0/phiGEMM'<br>
make[1]: *** [libphiGEMM] Error 2<br>
make[1]: se sale del directorio
`/home/user/bin/espresso-5.4.0/GPU/install'<br>
make: *** [libphiGEMM] Error 2<br>
<br>
<br>
<br>
<b>with MKL libs</b><br>
<br>
./configure --prefix=$HOME --enable-parallel --with-scalapack
--enable-cuda --with-gpu-arch=sm_35 --with-cuda-dir=/opt/cuda
--with-magma --with-phigemm<br>
<br>
En el fichero incluído de fft_scalar.f90:27:<br>
fft_scalar.DFTI.f90:20: error: mkl_dfti.f90: File or directory no
exist<br>
fft_scalar.DFTI.f90:27.71:<br>
Incluído en fft_scalar.f90:27:<br>
<br>
USE MKL_DFTI ! -- this can be found in the MKL include
directory<br>
1<br>
Error Fatal: No se puede abrir el fichero de módulo 'mkl_dfti.mod'
para lectura en (1): File or directory no exist<br>
make[1]: *** [fft_scalar.o] Error 1<br>
make[1]: se sale del directorio
`/home/user/bin/espresso-5.4.0/FFTXlib'<br>
make: *** [libfft] Error 1<br>
<br>
In this cas <b>mkl_dfti.f90</b> inside of MKL directory that is
using QE for compilation but for some reason is not read it.<br>
<br>
If someone has any idea how can I compile QE-GPU I'll apreciate.<br>
<div class="moz-signature"><br>
<br>
Tech details:<br>
NVIDIA GF110GL<br>
AMD<br>
CentOS release 6.7<br>
-- <br>
<p>Máximo Ramírez</p>
Research Assistant<br>
Nanotechnology Laboratory<br>
INTEC, Dominican Republic<br>
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