[Pw_forum] GPU serial compiling error

Mon May 12 17:04:01 CEST 2014

Dear Ivan
Thank you for your reply. I will send the problem to the mail you have introduced (q-e-gpgpu at qe-forge.org). I'd like to give some more information about the problem. Maybe you and some others are professional in this subject (I saw some main GPU-compiling errors that have been solved here in QE forum  :-)   ):

Formerly, I compiled QE 5.0.2 and its patch file with different compilers and MPI libraries on both CentOS and Debian linux distributions.

I used following ways without any problems:

1- gfortran/gcc with MPICH or openmpi
2- ifort/icc with MPICH with intel blas, lapack, and scalapack libraries both in static and dynamic linking

for GPU, on the debian, I have the problem which I mailed in my former post.
I installed NVIDIA GTX660Ti driver, but for CUDA 5.5, I had to configure with the command of "export CC=gcc4.6". with gcc4.7 I had a problem to install cuda 5.5. 

Now, in my system, I can make examples of cuda 5.5.

I used all the details that needed for GPU serial compiling, but I encounter with this error:
=======
cc -O3 -fopenmp -fPIC -z muldefs  -o libphigemm.so.2.0 phigemm_auxiliary.o phigemm_env.o phigemm_dgemm.o phigemm_zgemm.o phigemm_dgemm_specialK.o phigemm_zgemm_specialK.o phigemm_cgemm.o phigemm_sgemm.o -L/usr/local/cuda-5.5/lib64 -lcublas  -lcufft -lcudart /root/espresso-5.0.2/GPU/..//phiGEMM/lib/libphigemm.a  /root/espresso-5.0.2/GPU/..//BLAS/blas.a -L/usr/local/cuda-5.5/lib64 -lcublas  -lcufft -lcudart
> /usr/lib/gcc/x86_64-linux-gnu/4.7/../../../x86_64-linux-gnu/crt1.o: In function `_start':
> (.text+0x20): undefined reference to `main'
> /root/espresso-5.0.2/GPU/..//BLAS/blas.a(xerbla.o): In function `xerbla_':
> xerbla.f:(.text+0x44): undefined reference to `_gfortran_st_write'
> xerbla.f:(.text+0x54): undefined reference to `_gfortran_transfer_character_write'
> xerbla.f:(.text+0x64): undefined reference to `_gfortran_transfer_integer_write'
> xerbla.f:(.text+0x6c): undefined reference to `_gfortran_st_write_done'
> xerbla.f:(.text+0x75): undefined reference to `_gfortran_stop_string'
> collect2: error: ld returned 1 exit status
> make[3]: *** [shared] Error 1
> make[3]: Leaving directory `/root/espresso-5.0.2/phiGEMM/src'
=======
It seems that it used gcc4.7, and maybe the error comes from here (I am not sure). I will be glad if you or any other colleages can give me further information about error. I will send it on the GPU-forg mail.

Thank you again.

With the Best Regards

   Reza Behjatmanesh-Ardakani
   Associate Professor of Physical Chemistry
   Address:
   Department of Chemistry,
   School of Science,
   Payame Noor University (PNU),
   Ardakan,
   Yazd,
   Iran.
   E-mails: 
          1- reza_b_m_a at yahoo.com (preferred),
          2- behjatmanesh at pnu.ac.ir, 
          3- reza.b.m.a at gmail.com.

--------------------------------------------
On Mon, 5/12/14, Ivan Girotto <igirotto at ictp.it> wrote:

 Subject: Re: [Pw_forum] GPU serial compiling error
 To: "PWSCF Forum" <pw_forum at pwscf.org>
 Date: Monday, May 12, 2014, 2:45 PM

     Dear Reza,

     please make sure you follow the INSTALLATION
 instructions as
     reported here: http://qe-forge.org/gf/project/q-e-gpu/

     Configure and make commands are to be executed for
 different PATHs
     of the directory tree.

     For following e-mail on this topic please use the
     q-e-gpgpu at qe-forge.org
 mailing-list.

     Kind Regards,

     Ivan

     On 07/05/2014 08:52, Reza Behjatmanesh-Ardakani wrote:

       Dear Users

 I have compiled QE 5.0.2 with MPICH and intel composerxe
 parallel studio, and everything is OK.

 Now, I am compiling QE-GPU-14.03.0. To do this, I started
 with GTX660Ti. I installed NVIDIA linux driver, and CUDA5.5.

 I configured GPU according to its help. It seems that it is
 OK. However, when I run following command, I get some errors
 (see Following section). Any help will be appreciated. I
 have also attache make.sys and makefile.gpu

 =====================
 Command:
 make -f Makefile.gpu pw-gpu
 =================
 Error:
 .
 .
 .
 .
 cd ../../phiGEMM; make phigemm;
 make[2]: Entering directory
 `/root/espresso-5.0.2/phiGEMM'
 if test -d src ; then \
 	( cd src ; if test "make" = "" ; then
 make -w ; \
 	else make -w ; fi ) ; fi
 make[3]: Entering directory
 `/root/espresso-5.0.2/phiGEMM/src'
 mkdir -p ../bin ../lib
 ar ruv libphigemm.a phigemm_auxiliary.o phigemm_env.o
 phigemm_dgemm.o phigemm_zgemm.o phigemm_dgemm_specialK.o
 phigemm_zgemm_specialK.o phigemm_cgemm.o phigemm_sgemm.o
 ar: creating libphigemm.a
 a - phigemm_auxiliary.o
 a - phigemm_env.o
 a - phigemm_dgemm.o
 a - phigemm_zgemm.o
 a - phigemm_dgemm_specialK.o
 a - phigemm_zgemm_specialK.o
 a - phigemm_cgemm.o
 a - phigemm_sgemm.o
 mv libphigemm.a ../lib/.
 mkdir -p ../bin ../lib
 cc -O3 -fopenmp -fPIC -z muldefs  -o libphigemm.so.2.0
 phigemm_auxiliary.o phigemm_env.o phigemm_dgemm.o
 phigemm_zgemm.o phigemm_dgemm_specialK.o
 phigemm_zgemm_specialK.o phigemm_cgemm.o phigemm_sgemm.o
 -L/usr/local/cuda-5.5/lib64 -lcublas  -lcufft -lcudart
 /root/espresso-5.0.2/GPU/..//phiGEMM/lib/libphigemm.a 
 /root/espresso-5.0.2/GPU/..//BLAS/blas.a
 c
 xerbla.f:(.text+0x54): undefined reference to
 `_gfortran_transfer_character_write'
 xerbla.f:(.text+0x64): undefined reference to
 `_gfortran_transfer_integer_write'
 xerbla.f:(.text+0x6c): undefined reference to
 `_gfortran_st_write_done'
 xerbla.f:(.text+0x75): undefined reference to
 `_gfortran_stop_string'
 collect2: error: ld returned 1 exit status
 make[3]: *** [shared] Error 1
 make[3]: Leaving directory
 `/root/espresso-5.0.2/phiGEMM/src'
 make[2]: *** [phigemm] Error 2
 make[2]: Leaving directory
 `/root/espresso-5.0.2/phiGEMM'
 make[1]: *** [libphiGEMM] Error 2
 make[1]: Leaving directory
 `/root/espresso-5.0.2/GPU/install'
 make: *** [libphiGEMM] Error 2
 =================================================

 With the Best Regards

    Reza Behjatmanesh-Ardakani
    Associate Professor of Physical Chemistry
    Address:
    Department of Chemistry,
    School of Science,
    Payame Noor University (PNU),
    Ardakan,
    Yazd,
    Iran.
    E-mails: 
           1- reza_b_m_a at yahoo.com
 (preferred),
           2- behjatmanesh at pnu.ac.ir,

           3- reza.b.m.a at gmail.com.

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