[Pw_forum] compiling error during the installation of the GPU release of Quantum ESpresso

fabrizio gala fabrizio.gala at uniroma1.it
Fri Aug 5 16:18:28 CEST 2011

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__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 
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
Consorzio Nazionale Interuniversitario per le Scienze Fisiche della Materia (CNISM)

via A. Scarpa 14-16
00161 Rome - ITALY
phone: +390649766545
fax:   +390644240183

More information about the users mailing list