[Pw_forum] quantum espresso GPU
Francesco Pelizza
francesco.pelizza at strath.ac.uk
Wed Aug 17 11:08:56 CEST 2016
Hi dear Users,
I am trying to install and run jobs on the GPU I have, a gtx 980 Ti nVidia.
I followed the official git web page to intall the GPU version. But
after several fails and a couple if days trying to solve. I ask for help
now.
The configuration seems to go well. The make command doesn't run
properly since is not finding some "ELPA/src" folder and not installing
PhiGemm and probably also magma is not getting installed.
I am not sure If it is legitimate to ask here for that help.
But I bet someone before tryed and may solved my problems already.
The System is Ubuntu 15.04 since the installation of Cudatoolkit is smooth.
Nvidia drivers are 352 since are the latest supported in 15.04.
Cudatoolkit 7.5. Computing capacity of the nvidia graphic card is 5.2.
Could it be that the architeture sm_35 is not appropriate for a Maxwell
GPU? What about using the TITAN X. I read someone did...How?
Here attached:
- the command I used in cmd.txt file
- the configure output in conf.txt
- the make output in make.txt
- the error raised from make command in Error_make.txt
Please let me know if I am doing something wrong
Thank you very much
Francesco Pelizza
PhD Student in Strathclyde University
Glasgow
-------------- next part --------------
checking build system type... x86_64-unknown-linux-gnu
checking architecture... x86_64
checking for ifort... no
checking for pgf90... no
checking for pathf95... no
checking for sunf95... no
checking for openf95... no
checking for gfortran... gfortran
checking for Fortran compiler default output file name... a.out
checking whether the Fortran compiler works... yes
checking whether we are cross compiling... yes
checking for suffix of executables...
checking for suffix of object files... o
checking whether we are using the GNU Fortran compiler... yes
checking whether gfortran accepts -g... yes
checking for Fortran flag to compile .f90 files... none
checking version of gfortran... gfortran 4.9.2
setting F90... gfortran
setting MPIF90... gfortran
checking for cc... cc
checking whether we are using the GNU C compiler... yes
checking whether cc accepts -g... yes
checking for cc option to accept ISO C89... none needed
setting CC... cc
checking how to run the C preprocessor... cc -E
checking for grep that handles long lines and -e... /bin/grep
checking for egrep... /bin/grep -E
checking for ANSI C header files... yes
checking for sys/types.h... yes
checking for sys/stat.h... yes
checking for stdlib.h... yes
checking for string.h... yes
checking for memory.h... yes
checking for strings.h... yes
checking for inttypes.h... yes
checking for stdint.h... yes
checking for unistd.h... yes
checking size of int *... 8
checking malloc.h usability... yes
checking malloc.h presence... yes
checking for malloc.h... yes
checking for struct mallinfo.arena... yes
checking for gfortran... gfortran
checking whether we are using the GNU Fortran 77 compiler... yes
checking whether gfortran accepts -g... yes
setting F77... gfortran
using F90... gfortran
setting FFLAGS... -O3 -g -fopenmp
setting F90FLAGS... $(FFLAGS) -x f95-cpp-input -fopenmp
setting FFLAGS_NOOPT... -O0 -g
setting CFLAGS... -O3
setting CPP... cpp
setting CPPFLAGS... -P -traditional
setting LD... gfortran
setting LDFLAGS... -g -fopenmp
setting AR... ar
setting ARFLAGS... ruv
checking whether make sets $(MAKE)... yes
checking whether Fortran files must be preprocessed... no
checking how to get verbose linking output from gfortran... -v
checking for Fortran 77 libraries of gfortran... -L/usr/lib/gcc/x86_64-linux-gnu/4.9 -L/usr/lib/gcc/x86_64-linux-gnu/4.9/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/4.9/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/4.9/../../.. -lgfortran -lm -lquadmath
checking for dummy main to link with Fortran 77 libraries... none
checking for Fortran 77 name-mangling scheme... lower case, underscore, no extra underscore
checking for library containing dgemm... no
MKL not found
checking for none/libacml_mp.a... no
in /opt/intel/Compiler/*/*/mkl/lib/em64t: checking for library containing dgemm... no
MKL not found
checking for /opt/intel/Compiler/*/*/mkl/lib/em64t/libacml_mp.a... no
in /opt/intel/mkl/*/lib/em64t: checking for library containing dgemm... no
MKL not found
checking for /opt/intel/mkl/*/lib/em64t/libacml_mp.a... no
in /opt/intel/mkl*/lib/em64t: checking for library containing dgemm... no
MKL not found
checking for /opt/intel/mkl*/lib/em64t/libacml_mp.a... no
in /opt/intel/mkl/lib: checking for library containing dgemm... no
MKL not found
checking for /opt/intel/mkl/lib/libacml_mp.a... no
in /usr/local/cuda-7.5/lib64: checking for library containing dgemm... no
MKL not found
checking for /usr/local/cuda-7.5/lib64/libacml_mp.a... no
checking for library containing dgemm... no
in /usr/local/lib: checking for library containing dgemm... no
in /usr/local/cuda-7.5/lib64: checking for library containing dgemm... no
checking for library containing dgemm... no
in /usr/local/lib: checking for library containing dgemm... no
in /usr/local/cuda-7.5/lib64: checking for library containing dgemm... no
checking for library containing dspev... no
in /usr/local/lib: checking for library containing dspev... no
in /usr/local/cuda-7.5/lib64: checking for library containing dspev... no
setting BLAS_LIBS... /home/francesco/Software/espresso-5.4.0/GPU/..//BLAS/blas.a
setting LAPACK_LIBS... /home/francesco/Software/espresso-5.4.0/GPU/..//lapack-3.2/lapack.a
setting FFT_LIBS...
setting MASS_LIBS...
setting MPI_LIBS...
setting SCALAPACK_LIBS...
checking for nvcc... /usr/local/cuda-7.5/bin/nvcc
setting CUDA_LIBS... -L/usr/local/cuda-7.5/lib64 -lcublas -lcufft -lcudart
setting DFLAGS... -D__GFORTRAN -D__STD_F95 -D__FFTW -D__CUDA -D__PHIGEMM -D__MAGMA -DHAVE_CUBLAS -D__OPENMP
setting IFLAGS... -I../include -I/home/francesco/Software/espresso-5.4.0/GPU/..//qe-magma/include -I/home/francesco/Software/espresso-5.4.0/GPU/..//quark/include -I/home/francesco/Software/espresso-5.4.0/GPU/..//phiGEMM/include -I/usr/local/cuda-7.5/include
setting FDFLAGS... $(DFLAGS)
checking for ranlib... ranlib
setting RANLIB... ranlib
checking for wget... wget -O
setting WGET... wget -O
configure: creating ./config.status
config.status: creating ../include/fft_defs.h
config.status: creating make.sys
config.status: creating configure.msg
config.status: creating ../install/make_wannier90.sys
config.status: creating ../install/make_blas.inc
config.status: creating ../install/make_lapack.inc
config.status: creating install/make_phiGEMM.inc
config.status: creating install/make_magma.inc
config.status: creating install/make_cblas.inc
config.status: creating ../include/c_defs.h
config.status: ../include/c_defs.h is unchanged
config.status: creating ./include/c_defs.h
config.status: ./include/c_defs.h is unchanged
--------------------------------------------------------------------
ESPRESSO can take advantage of several optimized numerical libraries
(essl, fftw, mkl...). This configure script attempts to find them,
but may fail if they have been installed in non-standard locations.
If a required library is not found, the local copy will be compiled.
The following libraries have been found:
BLAS_LIBS=/home/francesco/Software/espresso-5.4.0/GPU/..//phiGEMM/lib/libphigemm.a /home/francesco/Software/espresso-5.4.0/GPU/..//BLAS/blas.a
LAPACK_LIBS=/home/francesco/Software/espresso-5.4.0/GPU/..//qe-magma/lib/libmagma.a /home/francesco/Software/espresso-5.4.0/GPU/..//lapack-3.2/lapack.a
FFT_LIBS=
Please check if this is what you expect.
If any libraries are missing, you may specify a list of directories
to search and retry, as follows:
./configure LIBDIRS="list of directories, separated by spaces"
Configured for compilation of serial executables.
For more info, read the ESPRESSO User's Guide (Doc/users-guide.tex).
--------------------------------------------------------------------
configure: success
-------------- next part --------------
Warning: Nonexistent include directory "/home/francesco/Software/espresso-5.4.0/GPU/..//qe-magma/include"
Warning: Nonexistent include directory "/home/francesco/Software/espresso-5.4.0/GPU/..//quark/include"
Warning: Nonexistent include directory "/home/francesco/Software/espresso-5.4.0/GPU/..//qe-magma/include"
Warning: Nonexistent include directory "/home/francesco/Software/espresso-5.4.0/GPU/..//quark/include"
Warning: Nonexistent include directory "/home/francesco/Software/espresso-5.4.0/GPU/..//qe-magma/include"
Warning: Nonexistent include directory "/home/francesco/Software/espresso-5.4.0/GPU/..//quark/include"
Warning: Nonexistent include directory "/home/francesco/Software/espresso-5.4.0/GPU/..//qe-magma/include"
Warning: Nonexistent include directory "/home/francesco/Software/espresso-5.4.0/GPU/..//quark/include"
Warning: Nonexistent include directory "/home/francesco/Software/espresso-5.4.0/GPU/..//qe-magma/include"
Warning: Nonexistent include directory "/home/francesco/Software/espresso-5.4.0/GPU/..//quark/include"
Warning: Nonexistent include directory "/home/francesco/Software/espresso-5.4.0/GPU/..//qe-magma/include"
Warning: Nonexistent include directory "/home/francesco/Software/espresso-5.4.0/GPU/..//quark/include"
Warning: Nonexistent include directory "../ELPA/src"
Warning: Nonexistent include directory "/home/francesco/Software/espresso-5.4.0/GPU/..//qe-magma/include"
Warning: Nonexistent include directory "/home/francesco/Software/espresso-5.4.0/GPU/..//quark/include"
Warning: Nonexistent include directory "../ELPA/src"
Warning: Nonexistent include directory "/home/francesco/Software/espresso-5.4.0/GPU/..//qe-magma/include"
Warning: Nonexistent include directory "/home/francesco/Software/espresso-5.4.0/GPU/..//quark/include"
Warning: Nonexistent include directory "../ELPA/src"
Warning: Nonexistent include directory "/home/francesco/Software/espresso-5.4.0/GPU/..//qe-magma/include"
Warning: Nonexistent include directory "/home/francesco/Software/espresso-5.4.0/GPU/..//quark/include"
Warning: Nonexistent include directory "../ELPA/src"
Warning: Nonexistent include directory "/home/francesco/Software/espresso-5.4.0/GPU/..//qe-magma/include"
Warning: Nonexistent include directory "/home/francesco/Software/espresso-5.4.0/GPU/..//quark/include"
Warning: Nonexistent include directory "../ELPA/src"
Warning: Nonexistent include directory "/home/francesco/Software/espresso-5.4.0/GPU/..//qe-magma/include"
Warning: Nonexistent include directory "/home/francesco/Software/espresso-5.4.0/GPU/..//quark/include"
Warning: Nonexistent include directory "../ELPA/src"
Warning: Nonexistent include directory "/home/francesco/Software/espresso-5.4.0/GPU/..//qe-magma/include"
Warning: Nonexistent include directory "/home/francesco/Software/espresso-5.4.0/GPU/..//quark/include"
Warning: Nonexistent include directory "../ELPA/src"
Warning: Nonexistent include directory "/home/francesco/Software/espresso-5.4.0/GPU/..//qe-magma/include"
Warning: Nonexistent include directory "/home/francesco/Software/espresso-5.4.0/GPU/..//quark/include"
Warning: Nonexistent include directory "../ELPA/src"
Warning: Nonexistent include directory "/home/francesco/Software/espresso-5.4.0/GPU/..//qe-magma/include"
Warning: Nonexistent include directory "/home/francesco/Software/espresso-5.4.0/GPU/..//quark/include"
Warning: Nonexistent include directory "../ELPA/src"
Warning: Nonexistent include directory "/home/francesco/Software/espresso-5.4.0/GPU/..//qe-magma/include"
Warning: Nonexistent include directory "/home/francesco/Software/espresso-5.4.0/GPU/..//quark/include"
Warning: Nonexistent include directory "../ELPA/src"
Warning: Nonexistent include directory "/home/francesco/Software/espresso-5.4.0/GPU/..//qe-magma/include"
Warning: Nonexistent include directory "/home/francesco/Software/espresso-5.4.0/GPU/..//quark/include"
Warning: Nonexistent include directory "../ELPA/src"
../make.inc:24: warning: overriding recipe for target '.c.o'
Makefile:14: warning: ignoring old recipe for target '.c.o'
ar: creating libphigemm.a
/usr/bin/ld: /home/francesco/Software/espresso-5.4.0/GPU/..//BLAS/blas.a(dgemm.o): relocation R_X86_64_32 against `.rodata' can not be used when making a shared object; recompile with -fPIC
/home/francesco/Software/espresso-5.4.0/GPU/..//BLAS/blas.a: error adding symbols: Bad value
collect2: error: ld returned 1 exit status
make[3]: *** [shared] Error 1
make[2]: *** [phigemm] Error 2
make[1]: *** [libphiGEMM] Error 2
make: *** [libphiGEMM] Error 2
-------------- next part --------------
test -d bin || mkdir bin
cd install ; make -f extlibs_makefile libiotk
make[1]: Entering directory '/home/francesco/Software/espresso-5.4.0/install'
if test ! -d ../S3DE; then \
(gzip -dc ../archive/iotk-1.2.beta.tar.gz | (cd ../; tar -xvf -)) ; \
if test -e Makefile_iotk; then \
(cp Makefile_iotk ../S3DE/iotk/src/Makefile); fi; \
if test -e iotk_config.h; then \
(cp iotk_config.h ../S3DE/iotk/include/iotk_config.h); fi; fi
cd ../S3DE/iotk/src; make lib+util;
make[2]: Entering directory '/home/francesco/Software/espresso-5.4.0/S3DE/iotk/src'
make[2]: Nothing to be done for 'lib+util'.
make[2]: Leaving directory '/home/francesco/Software/espresso-5.4.0/S3DE/iotk/src'
cd ../bin; ln -fs ../S3DE/iotk/tools/iotk .; \
ln -fs ../S3DE/iotk/src/iotk.x .; \
ln -fs ../S3DE/iotk/src/iotk_print_kinds.x .; \
cd ../; ln -fs S3DE/iotk iotk
make[1]: Leaving directory '/home/francesco/Software/espresso-5.4.0/install'
cd install ; make -f extlibs_makefile libelpa
make[1]: Entering directory '/home/francesco/Software/espresso-5.4.0/install'
touch fake_libelpa.a
rm fake_libelpa.a
make[1]: Leaving directory '/home/francesco/Software/espresso-5.4.0/install'
( cd FFTXlib ; make TLDEPS= all || exit 1 )
make[1]: Entering directory '/home/francesco/Software/espresso-5.4.0/FFTXlib'
gfortran -O3 -g -fopenmp -x f95-cpp-input -fopenmp -D__GFORTRAN -D__STD_F95 -D__FFTW -D__CUDA -D__PHIGEMM -D__MAGMA -DHAVE_CUBLAS -D__OPENMP -I../include -I/home/francesco/Software/espresso-5.4.0/GPU/..//qe-magma/include -I/home/francesco/Software/espresso-5.4.0/GPU/..//quark/include -I/home/francesco/Software/espresso-5.4.0/GPU/..//phiGEMM/include -I/usr/local/cuda-7.5/include -c fft_scalar.f90
gfortran -O3 -g -fopenmp -x f95-cpp-input -fopenmp -D__GFORTRAN -D__STD_F95 -D__FFTW -D__CUDA -D__PHIGEMM -D__MAGMA -DHAVE_CUBLAS -D__OPENMP -I../include -I/home/francesco/Software/espresso-5.4.0/GPU/..//qe-magma/include -I/home/francesco/Software/espresso-5.4.0/GPU/..//quark/include -I/home/francesco/Software/espresso-5.4.0/GPU/..//phiGEMM/include -I/usr/local/cuda-7.5/include -c fft_parallel.f90
gfortran -O3 -g -fopenmp -x f95-cpp-input -fopenmp -D__GFORTRAN -D__STD_F95 -D__FFTW -D__CUDA -D__PHIGEMM -D__MAGMA -DHAVE_CUBLAS -D__OPENMP -I../include -I/home/francesco/Software/espresso-5.4.0/GPU/..//qe-magma/include -I/home/francesco/Software/espresso-5.4.0/GPU/..//quark/include -I/home/francesco/Software/espresso-5.4.0/GPU/..//phiGEMM/include -I/usr/local/cuda-7.5/include -c fft_smallbox.f90
gfortran -O3 -g -fopenmp -x f95-cpp-input -fopenmp -D__GFORTRAN -D__STD_F95 -D__FFTW -D__CUDA -D__PHIGEMM -D__MAGMA -DHAVE_CUBLAS -D__OPENMP -I../include -I/home/francesco/Software/espresso-5.4.0/GPU/..//qe-magma/include -I/home/francesco/Software/espresso-5.4.0/GPU/..//quark/include -I/home/francesco/Software/espresso-5.4.0/GPU/..//phiGEMM/include -I/usr/local/cuda-7.5/include -c fft_interfaces.f90
gfortran -O3 -g -fopenmp -x f95-cpp-input -fopenmp -D__GFORTRAN -D__STD_F95 -D__FFTW -D__CUDA -D__PHIGEMM -D__MAGMA -DHAVE_CUBLAS -D__OPENMP -I../include -I/home/francesco/Software/espresso-5.4.0/GPU/..//qe-magma/include -I/home/francesco/Software/espresso-5.4.0/GPU/..//quark/include -I/home/francesco/Software/espresso-5.4.0/GPU/..//phiGEMM/include -I/usr/local/cuda-7.5/include -c fft_support.f90
ar ruv libqefft.a fft_scalar.o fft_parallel.o fft_interfaces.o fft_smallbox.o fft_support.o
r - fft_scalar.o
r - fft_parallel.o
r - fft_interfaces.o
r - fft_smallbox.o
r - fft_support.o
ranlib libqefft.a
make[1]: Leaving directory '/home/francesco/Software/espresso-5.4.0/FFTXlib'
grep -rl -E 'gemm|GEMM' ./Modules/*.f90 | python ./GPU/scripts/addPhigemmSymbs.py
/home/francesco/Software/espresso-5.4.0/Modules/becmod.f90: skipped.
/home/francesco/Software/espresso-5.4.0/Modules/bfgs_module.f90: skipped.
/home/francesco/Software/espresso-5.4.0/Modules/mp.f90: skipped.
( cd Modules ; if test "make" = "" ; then make TLDEPS= all ; \
else make TLDEPS= all ; fi )
make[1]: Entering directory '/home/francesco/Software/espresso-5.4.0/Modules'
( if test -x ../install/update_version ; then \
../install/update_version; \
else if test ! -f version.f90 ; then \
cat version.f90.in > version.f90 ; fi ; fi )
gfortran -O3 -g -fopenmp -x f95-cpp-input -fopenmp -D__GFORTRAN -D__STD_F95 -D__FFTW -D__CUDA -D__PHIGEMM -D__MAGMA -DHAVE_CUBLAS -D__OPENMP -I../include -I/home/francesco/Software/espresso-5.4.0/GPU/..//qe-magma/include -I/home/francesco/Software/espresso-5.4.0/GPU/..//quark/include -I/home/francesco/Software/espresso-5.4.0/GPU/..//phiGEMM/include -I/usr/local/cuda-7.5/include -I../iotk/src -I../ELPA/src -I../FFTXlib -I../LAXlib -I. -c fft_custom.f90
gfortran -O3 -g -fopenmp -x f95-cpp-input -fopenmp -D__GFORTRAN -D__STD_F95 -D__FFTW -D__CUDA -D__PHIGEMM -D__MAGMA -DHAVE_CUBLAS -D__OPENMP -I../include -I/home/francesco/Software/espresso-5.4.0/GPU/..//qe-magma/include -I/home/francesco/Software/espresso-5.4.0/GPU/..//quark/include -I/home/francesco/Software/espresso-5.4.0/GPU/..//phiGEMM/include -I/usr/local/cuda-7.5/include -I../iotk/src -I../ELPA/src -I../FFTXlib -I../LAXlib -I. -c xc_rVV10.f90
gfortran -O3 -g -fopenmp -x f95-cpp-input -fopenmp -D__GFORTRAN -D__STD_F95 -D__FFTW -D__CUDA -D__PHIGEMM -D__MAGMA -DHAVE_CUBLAS -D__OPENMP -I../include -I/home/francesco/Software/espresso-5.4.0/GPU/..//qe-magma/include -I/home/francesco/Software/espresso-5.4.0/GPU/..//quark/include -I/home/francesco/Software/espresso-5.4.0/GPU/..//phiGEMM/include -I/usr/local/cuda-7.5/include -I../iotk/src -I../ELPA/src -I../FFTXlib -I../LAXlib -I. -c xc_vdW_DF.f90
gfortran -O3 -g -fopenmp -x f95-cpp-input -fopenmp -D__GFORTRAN -D__STD_F95 -D__FFTW -D__CUDA -D__PHIGEMM -D__MAGMA -DHAVE_CUBLAS -D__OPENMP -I../include -I/home/francesco/Software/espresso-5.4.0/GPU/..//qe-magma/include -I/home/francesco/Software/espresso-5.4.0/GPU/..//quark/include -I/home/francesco/Software/espresso-5.4.0/GPU/..//phiGEMM/include -I/usr/local/cuda-7.5/include -I../iotk/src -I../ELPA/src -I../FFTXlib -I../LAXlib -I. -c funct.f90
gfortran -O3 -g -fopenmp -x f95-cpp-input -fopenmp -D__GFORTRAN -D__STD_F95 -D__FFTW -D__CUDA -D__PHIGEMM -D__MAGMA -DHAVE_CUBLAS -D__OPENMP -I../include -I/home/francesco/Software/espresso-5.4.0/GPU/..//qe-magma/include -I/home/francesco/Software/espresso-5.4.0/GPU/..//quark/include -I/home/francesco/Software/espresso-5.4.0/GPU/..//phiGEMM/include -I/usr/local/cuda-7.5/include -I../iotk/src -I../ELPA/src -I../FFTXlib -I../LAXlib -I. -c griddim.f90
gfortran -O3 -g -fopenmp -x f95-cpp-input -fopenmp -D__GFORTRAN -D__STD_F95 -D__FFTW -D__CUDA -D__PHIGEMM -D__MAGMA -DHAVE_CUBLAS -D__OPENMP -I../include -I/home/francesco/Software/espresso-5.4.0/GPU/..//qe-magma/include -I/home/francesco/Software/espresso-5.4.0/GPU/..//quark/include -I/home/francesco/Software/espresso-5.4.0/GPU/..//phiGEMM/include -I/usr/local/cuda-7.5/include -I../iotk/src -I../ELPA/src -I../FFTXlib -I../LAXlib -I. -c gth.f90
gfortran -O3 -g -fopenmp -x f95-cpp-input -fopenmp -D__GFORTRAN -D__STD_F95 -D__FFTW -D__CUDA -D__PHIGEMM -D__MAGMA -DHAVE_CUBLAS -D__OPENMP -I../include -I/home/francesco/Software/espresso-5.4.0/GPU/..//qe-magma/include -I/home/francesco/Software/espresso-5.4.0/GPU/..//quark/include -I/home/francesco/Software/espresso-5.4.0/GPU/..//phiGEMM/include -I/usr/local/cuda-7.5/include -I../iotk/src -I../ELPA/src -I../FFTXlib -I../LAXlib -I. -c read_ncpp.f90
gfortran -O3 -g -fopenmp -x f95-cpp-input -fopenmp -D__GFORTRAN -D__STD_F95 -D__FFTW -D__CUDA -D__PHIGEMM -D__MAGMA -DHAVE_CUBLAS -D__OPENMP -I../include -I/home/francesco/Software/espresso-5.4.0/GPU/..//qe-magma/include -I/home/francesco/Software/espresso-5.4.0/GPU/..//quark/include -I/home/francesco/Software/espresso-5.4.0/GPU/..//phiGEMM/include -I/usr/local/cuda-7.5/include -I../iotk/src -I../ELPA/src -I../FFTXlib -I../LAXlib -I. -c read_uspp.f90
gfortran -O3 -g -fopenmp -x f95-cpp-input -fopenmp -D__GFORTRAN -D__STD_F95 -D__FFTW -D__CUDA -D__PHIGEMM -D__MAGMA -DHAVE_CUBLAS -D__OPENMP -I../include -I/home/francesco/Software/espresso-5.4.0/GPU/..//qe-magma/include -I/home/francesco/Software/espresso-5.4.0/GPU/..//quark/include -I/home/francesco/Software/espresso-5.4.0/GPU/..//phiGEMM/include -I/usr/local/cuda-7.5/include -I../iotk/src -I../ELPA/src -I../FFTXlib -I../LAXlib -I. -c upf_to_internal.f90
gfortran -O3 -g -fopenmp -x f95-cpp-input -fopenmp -D__GFORTRAN -D__STD_F95 -D__FFTW -D__CUDA -D__PHIGEMM -D__MAGMA -DHAVE_CUBLAS -D__OPENMP -I../include -I/home/francesco/Software/espresso-5.4.0/GPU/..//qe-magma/include -I/home/francesco/Software/espresso-5.4.0/GPU/..//quark/include -I/home/francesco/Software/espresso-5.4.0/GPU/..//phiGEMM/include -I/usr/local/cuda-7.5/include -I../iotk/src -I../ELPA/src -I../FFTXlib -I../LAXlib -I. -c read_pseudo.f90
gfortran -O3 -g -fopenmp -x f95-cpp-input -fopenmp -D__GFORTRAN -D__STD_F95 -D__FFTW -D__CUDA -D__PHIGEMM -D__MAGMA -DHAVE_CUBLAS -D__OPENMP -I../include -I/home/francesco/Software/espresso-5.4.0/GPU/..//qe-magma/include -I/home/francesco/Software/espresso-5.4.0/GPU/..//quark/include -I/home/francesco/Software/espresso-5.4.0/GPU/..//phiGEMM/include -I/usr/local/cuda-7.5/include -I../iotk/src -I../ELPA/src -I../FFTXlib -I../LAXlib -I. -c tsvdw.f90
ar ruv libqemod.a fft_custom.o funct.o griddim.o gth.o read_ncpp.o read_pseudo.o read_uspp.o tsvdw.o upf_to_internal.o xc_vdW_DF.o xc_rVV10.o
r - fft_custom.o
r - funct.o
r - griddim.o
r - gth.o
r - read_ncpp.o
r - read_pseudo.o
r - read_uspp.o
r - tsvdw.o
r - upf_to_internal.o
r - xc_vdW_DF.o
r - xc_rVV10.o
ranlib libqemod.a
make[1]: Leaving directory '/home/francesco/Software/espresso-5.4.0/Modules'
cd install ; make -f extlibs_makefile liblapack
make[1]: Entering directory '/home/francesco/Software/espresso-5.4.0/install'
if test ! -d ../lapack-3.2; then \
( gzip -dc ../archive/lapack-3.2.tar.gz | (cd ../; tar -xvf -)); fi
if test -e make_lapack.inc; then \
(cp make_lapack.inc ../lapack-3.2/make.inc; \
cp Makefile_lapack ../lapack-3.2/SRC/Makefile; \
cp Makefile_lapack_testing_lin ../lapack-3.2/TESTING/LIN/Makefile; \
cd ../lapack-3.2; make lapacklib); else \
(echo "no configuration file found for lapack"; \
echo "run configure from main QE dir"); fi
make[2]: Entering directory '/home/francesco/Software/espresso-5.4.0/lapack-3.2'
( cd INSTALL; make)
make[3]: Entering directory '/home/francesco/Software/espresso-5.4.0/lapack-3.2/INSTALL'
make[3]: Nothing to be done for 'all'.
make[3]: Leaving directory '/home/francesco/Software/espresso-5.4.0/lapack-3.2/INSTALL'
( cd SRC; make )
make[3]: Entering directory '/home/francesco/Software/espresso-5.4.0/lapack-3.2/SRC'
make[3]: Nothing to be done for 'all'.
make[3]: Leaving directory '/home/francesco/Software/espresso-5.4.0/lapack-3.2/SRC'
make[2]: Leaving directory '/home/francesco/Software/espresso-5.4.0/lapack-3.2'
make[1]: Leaving directory '/home/francesco/Software/espresso-5.4.0/install'
cd install ; make -f extlibs_makefile libblas
make[1]: Entering directory '/home/francesco/Software/espresso-5.4.0/install'
if test ! -d ../BLAS; then \
( gzip -dc ../archive/blas-1.tar.gz |(cd ../; tar -xvf -)); fi
if test -e make_blas.inc; then \
(cp make_blas.inc ../BLAS/make.inc; \
cd ../BLAS; make ); else \
(echo "no configuration file found for blas"; \
echo "run configure from main QE dir"); fi
make[2]: Entering directory '/home/francesco/Software/espresso-5.4.0/BLAS'
make[2]: Nothing to be done for 'all'.
make[2]: Leaving directory '/home/francesco/Software/espresso-5.4.0/BLAS'
make[1]: Leaving directory '/home/francesco/Software/espresso-5.4.0/install'
cd GPU/install ; make -f extlibs_GPU_makefile libphiGEMM
make[1]: Entering directory '/home/francesco/Software/espresso-5.4.0/QE-GPU-master/install'
if test ! -d ../../phiGEMM ; then \
( gzip -dc ../archive/phiGEMM-v2.0.0.tar.gz | \
(cd ../../; tar -xvf ./GPU/archive/phiGEMM-v2.0.0.tar.gz )); fi
cp make_phiGEMM.inc ../../phiGEMM/make.inc;
cd ../../phiGEMM; make phigemm;
make[2]: Entering directory '/home/francesco/Software/espresso-5.4.0/phiGEMM'
if test -d src ; then \
( cd src ; if test "make" = "" ; then make -w ; \
else make -w ; fi ) ; fi
make[3]: Entering directory '/home/francesco/Software/espresso-5.4.0/phiGEMM/src'
mkdir -p ../bin ../lib
ar ruv libphigemm.a phigemm_auxiliary.o phigemm_env.o phigemm_dgemm.o phigemm_dgemm_specialK.o phigemm_zgemm.o phigemm_zgemm_specialK.o
a - phigemm_auxiliary.o
a - phigemm_env.o
a - phigemm_dgemm.o
a - phigemm_dgemm_specialK.o
a - phigemm_zgemm.o
a - phigemm_zgemm_specialK.o
mv libphigemm.a ../lib/.
mkdir -p ../bin ../lib
cc -O3 -fopenmp -fPIC -z muldefs -shared -o libphigemm.so.2.0 phigemm_auxiliary.o phigemm_env.o phigemm_dgemm.o phigemm_dgemm_specialK.o phigemm_zgemm.o phigemm_zgemm_specialK.o -L/usr/local/cuda-7.5/lib64 -lcublas -lcufft -lcudart /home/francesco/Software/espresso-5.4.0/GPU/..//phiGEMM/lib/libphigemm.a /home/francesco/Software/espresso-5.4.0/GPU/..//BLAS/blas.a -L/usr/local/cuda-7.5/lib64 -lcublas -lcufft -lcudart
Makefile:36: recipe for target 'shared' failed
make[3]: Leaving directory '/home/francesco/Software/espresso-5.4.0/phiGEMM/src'
Makefile:19: recipe for target 'phigemm' failed
make[2]: Leaving directory '/home/francesco/Software/espresso-5.4.0/phiGEMM'
extlibs_GPU_makefile:19: recipe for target 'libphiGEMM' failed
make[1]: Leaving directory '/home/francesco/Software/espresso-5.4.0/QE-GPU-master/install'
Makefile.gpu:145: recipe for target 'libphiGEMM' failed
-------------- next part --------------
ln -s QE-GPU-master GPU
cd GPU
./configure --enable-parallel --enable-openmp --enable-cuda --with-cuda-dir=/usr/local/cuda --with-magma --with-phigemm --with-gpu-arch=sm_35 --with-cuda-dir=/usr/local/cuda-7.5
cd ..
make -f Makefile.gpu pw-gpu
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