Dear Fabrizio there is a specific mailing list for questions/problems with the GPU implementation ( q-e-gpgpu at qeforge.qe-forge.org). You can subscribe at http://qe-forge.org/mailman/listinfo/q-e-gpgpu .
best regards Layla 2011/8/5 fabrizio gala <fabrizio.gala at uniroma1.it> > thanks for your fast reply, > unfortunately, after having corrected the syntax as you told me, the > following compiling error occurs: > > make[2]: Entering directory `/home/fabri/espresso-PRACE/PW/cuda' > /usr/local/cuda/bin/nvcc -O3 --ptxas-options=-v -arch sm_20 -gencode > arch=compute_20,code=compute_20 -I../../include -I../include > -I/usr/local/cuda//include -D__GFORTRAN -D__STD_F95 -D__FFTW3 -D__CUDA > -D__CUDA_MEM_PINNED -D__GPU_NVIDIA_20 -D__CUDA_QE_TIMING -D__MPI > -D__PARA -c vloc_psi.cu -o vloc_psi_cuda.o > In file included from /usr/local/cuda//include/cuda_runtime.h:59:0, > from <command-line>:0: > /usr/local/cuda//include/host_config.h:82:2: error: #error -- > unsupported GNU version! gcc 4.5 and up are not supported! > In file included from vloc_psi.cu:16:0: > ../../include/cuda_env.h:26:17: fatal error: mpi.h: No such file or > directory > compilation terminated. > make[2]: *** [libpwcuda.a] Error 1 > make[2]: Leaving directory `/home/fabri/espresso-PRACE/PW/cuda' > mpif90 -g -o pw.x \ > pwscf.o libpw.a libpwcuda.a ../Modules/libqemod.a ../flib/ptools.a > ../flib/flib.a ../clib/clib.a ../iotk/src/libiotk.a -llapack -lblas > -lfftw3 -lblas -L/usr/local/cuda//lib64 -lcudart -lcublas -lcufft > -lcublas -lcuda > gfortran: error: libpwcuda.a: No such file or directory > make[1]: *** [pw.x] Error 1 > make[1]: Leaving directory `/home/fabri/espresso-PRACE/PW' > make: *** [pw] Error 2 > > which seems to me more tricky.. > any suggestion? > > > Il 05/08/11 14:53, Paolo Giannozzi ha scritto: > > On Aug 3, 2011, at 14:33 , fabrizio gala wrote: > > > >> IF (err) THEN > >> 1 > >> Error: IF clause at (1) requires a scalar LOGICAL expression > > assuming that err is an integer variable, the correct syntax is "IF > > ( err> 0 ) THEN" > > Some compilers accept integers in logical expressions (0=.false., > > 1=.true.) but > > this is nonstandard > > > > P. > > --- > > Paolo Giannozzi, Dept of Chemistry&Physics&Environment, > > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > > Phone +39-0432-558216, fax +39-0432-558222 > > > > > > > > > > _______________________________________________ > > Pw_forum mailing list > > Pw_forum at pwscf.org > > http://www.democritos.it/mailman/listinfo/pw_forum > > > > > -- > Dr. Fabrizio Gala > Dipartimento di Scienze di Base e Applicate per l'Ingegneria, > Sezione di Fisica. > La Sapienza,University of Rome > and > Consorzio Nazionale Interuniversitario per le Scienze Fisiche della Materia > (CNISM) > > via A. Scarpa 14-16 > 00161 Rome - ITALY > phone: +390649766545 > fax: +390644240183 > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110805/f40a4733/attachment.htm