Dear Fabrizio there is a specific mailing list for questions/problems with the GPU implementation (
<a href="mailto:q-e-gpgpu@qeforge.qe-forge.org">q-e-gpgpu@qeforge.qe-forge.org</a>). You can subscribe at <a href="http://qe-forge.org/mailman/listinfo/q-e-gpgpu">http://qe-forge.org/mailman/listinfo/q-e-gpgpu</a> .<br>
<br>best regards<br><br>Layla<br><br><div class="gmail_quote">2011/8/5 fabrizio gala <span dir="ltr"><<a href="mailto:fabrizio.gala@uniroma1.it">fabrizio.gala@uniroma1.it</a>></span><br><blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
thanks for your fast reply,<br>
unfortunately, after having corrected the syntax as you told me, the<br>
following compiling error occurs:<br>
<br>
make[2]: Entering directory `/home/fabri/espresso-PRACE/PW/cuda'<br>
/usr/local/cuda/bin/nvcc -O3 --ptxas-options=-v -arch sm_20 -gencode<br>
arch=compute_20,code=compute_20 -I../../include -I../include<br>
-I/usr/local/cuda//include -D__GFORTRAN -D__STD_F95 -D__FFTW3 -D__CUDA<br>
-D__CUDA_MEM_PINNED -D__GPU_NVIDIA_20 -D__CUDA_QE_TIMING -D__MPI<br>
-D__PARA -c <a href="http://vloc_psi.cu" target="_blank">vloc_psi.cu</a> -o vloc_psi_cuda.o<br>
In file included from /usr/local/cuda//include/cuda_runtime.h:59:0,<br>
from <command-line>:0:<br>
/usr/local/cuda//include/host_config.h:82:2: error: #error --<br>
unsupported GNU version! gcc 4.5 and up are not supported!<br>
In file included from vloc_psi.cu:16:0:<br>
../../include/cuda_env.h:26:17: fatal error: mpi.h: No such file or<br>
directory<br>
compilation terminated.<br>
make[2]: *** [libpwcuda.a] Error 1<br>
make[2]: Leaving directory `/home/fabri/espresso-PRACE/PW/cuda'<br>
mpif90 -g -o pw.x \<br>
pwscf.o libpw.a libpwcuda.a ../Modules/libqemod.a ../flib/ptools.a<br>
../flib/flib.a ../clib/clib.a ../iotk/src/libiotk.a -llapack -lblas<br>
-lfftw3 -lblas -L/usr/local/cuda//lib64 -lcudart -lcublas -lcufft<br>
-lcublas -lcuda<br>
gfortran: error: libpwcuda.a: No such file or directory<br>
make[1]: *** [pw.x] Error 1<br>
make[1]: Leaving directory `/home/fabri/espresso-PRACE/PW'<br>
make: *** [pw] Error 2<br>
<br>
which seems to me more tricky..<br>
any suggestion?<br>
<br>
<br>
Il 05/08/11 14:53, Paolo Giannozzi ha scritto:<br>
<div><div></div><div class="h5">> On Aug 3, 2011, at 14:33 , fabrizio gala wrote:<br>
><br>
>> IF (err) THEN<br>
>> 1<br>
>> Error: IF clause at (1) requires a scalar LOGICAL expression<br>
> assuming that err is an integer variable, the correct syntax is "IF<br>
> ( err> 0 ) THEN"<br>
> Some compilers accept integers in logical expressions (0=.false.,<br>
> 1=.true.) but<br>
> this is nonstandard<br>
><br>
> P.<br>
> ---<br>
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,<br>
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>
> Phone <a href="tel:%2B39-0432-558216" value="+390432558216">+39-0432-558216</a>, fax <a href="tel:%2B39-0432-558222" value="+390432558222">+39-0432-558222</a><br>
><br>
><br>
><br>
><br>
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<br>
<br>
</div></div>--<br>
Dr. Fabrizio Gala<br>
Dipartimento di Scienze di Base e Applicate per l'Ingegneria,<br>
Sezione di Fisica.<br>
La Sapienza,University of Rome<br>
and<br>
Consorzio Nazionale Interuniversitario per le Scienze Fisiche della Materia (CNISM)<br>
<br>
via A. Scarpa 14-16<br>
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