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

[Ivan Girotto]

Hi Fabrizio,

we never met this problem. I would ask you to try with a gcc compiler 
version < 4.5, or with Intel compiler if you have one available.

Please let me know if a different compiler can fix your problem. 
Otherwise we'll further investigate.

Regards,

Ivan

-- 

Girotto Ivan  - ivan.girotto at ichec.ie
ICHEC - Computational Group - http://www.ichec.ie

The Tower - 7th floor
Trinity Technology&  Enterprise Campus
Grand Canal Quay - Dublin 2 - Ireland

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On 05/08/2011 15:18, fabrizio gala wrote:
> 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
>>
>>
>>
>>
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>