Dear Filippo, The graphic card driver (NVIDIA) had been installed. Then I followed these steps to install CUDA:
chmod +x ./NVIDIA_CUDA_Toolkit_2.0_rhel5.1_x86_64.run* su -c './NVIDIA_CUDA_Toolkit_2.0_rhel5.1_x86_64.run*' Now, there is a CUDA folder under /user/local , containing: bin doc include lib man open64 src I wonder what the problem is... Thanks for your help, regards, Mohammad On Mon, Dec 29, 2014 at 4:32 PM, Filippo Spiga <[email protected]> wrote: > Dear Mohamad, > > did you have CUDA installed under /usr/local or /lib64 ? Anyway, > libcuda*.so are not found in LD_LIBRARY_PATH, be sure you pass the right > location where you installed the CUDA SDK. > > HTH > > Cheers, > F > > > > On Dec 29, 2014, at 11:18 AM, Mohamad Moadeli < > [email protected]> wrote: > > > > Dear all, > > > > I am trying to compile QE-GPU (5.0.2). Here is the make.sys file: > > > > ======================================================== > > ======================================================== > > # make.sys. Generated from make.sys.in by configure. > > > > # compilation rules > > > > .SUFFIXES : > > .SUFFIXES : .o .c .f .f90 .cu > > > > # most fortran compilers can directly preprocess c-like directives: use > > # $(MPIF90) $(F90FLAGS) -c $< > > # if explicit preprocessing by the C preprocessor is needed, use: > > # $(CPP) $(CPPFLAGS) $< -o $*.F90 > > # $(MPIF90) $(F90FLAGS) -c $*.F90 -o $*.o > > # remember the tabulator in the first column !!! > > > > .f90.o: > > $(MPIF90) $(F90FLAGS) -c $< > > > > # .f.o and .c.o: do not modify > > > > .f.o: > > $(F77) $(FFLAGS) -c $< > > > > .c.o: > > $(CC) $(CFLAGS) -c $< > > > > # CUDA files > > .cu.o: > > $(NVCC) $(NVCCFLAGS) -I../../include $(IFLAGS) $(DFLAGS) -c $< > > > > # topdir for linking espresso libs with plugins > > TOPDIR = /usr/local/codes/espresso/espresso-5.0.2/GPU/../ > > > > > > # DFLAGS = precompilation options (possible arguments to -D and -U) > > # used by the C compiler and preprocessor > > # FDFLAGS = as DFLAGS, for the f90 compiler > > # See include/defs.h.README for a list of options and their meaning > > # With the exception of IBM xlf, FDFLAGS = $(DFLAGS) > > # For IBM xlf, FDFLAGS is the same as DFLAGS with separating commas > > > > # MANUAL_DFLAGS = additional precompilation option(s), if desired > > # You may use this instead of tweaking DFLAGS and > FDFLAGS > > # BEWARE: will not work for IBM xlf! Manually edit > FDFLAGS > > MANUAL_DFLAGS = > > DFLAGS = -D__INTEL -D__FFTW3 -D__MPI -D__PARA -D__SCALAPACK > -D__CUDA -D__PHIGEMM $(MANUAL_DFLAGS) > > FDFLAGS = $(DFLAGS) > > > > # IFLAGS = how to locate directories where files to be included are > > # In most cases, IFLAGS = -I../include > > > > IFLAGS = -I../include > -I/usr/local/codes/espresso/espresso-5.0.2/GPU/..//phiGEMM/include > -I/include > > > > # MOD_FLAGS = flag used by f90 compiler to locate modules > > # Each Makefile defines the list of needed modules in MODFLAGS > > > > MOD_FLAG = -I > > > > # Compilers: fortran-90, fortran-77, C > > # If a parallel compilation is desired, MPIF90 should be a fortran-90 > > # compiler that produces executables for parallel execution using MPI > > # (such as for instance mpif90, mpf90, mpxlf90,...); > > # otherwise, an ordinary fortran-90 compiler (f90, g95, xlf90, ifort,...) > > # If you have a parallel machine but no suitable candidate for MPIF90, > > # try to specify the directory containing "mpif.h" in IFLAGS > > # and to specify the location of MPI libraries in MPI_LIBS > > > > MPIF90 = mpif90 > > #F90 = ifort > > CC = icc > > F77 = ifort > > > > # C preprocessor and preprocessing flags - for explicit preprocessing, > > # if needed (see the compilation rules above) > > # preprocessing flags must include DFLAGS and IFLAGS > > > > CPP = cpp > > CPPFLAGS = -P -traditional $(DFLAGS) $(IFLAGS) > > > > # compiler flags: C, F90, F77 > > # C flags must include DFLAGS and IFLAGS > > # F90 flags must include MODFLAGS, IFLAGS, and FDFLAGS with appropriate > syntax > > > > CFLAGS = -O3 $(DFLAGS) $(IFLAGS) > > F90FLAGS = $(FFLAGS) -nomodule -fpp $(FDFLAGS) $(IFLAGS) > $(MODFLAGS) > > FFLAGS = -O2 -assume byterecl -g -traceback -par-report0 > -vec-report0 > > > > # compiler flags without optimization for fortran-77 > > # the latter is NEEDED to properly compile dlamch.f, used by lapack > > > > FFLAGS_NOOPT = -O0 -assume byterecl -g -traceback > > > > # compiler flag needed by some compilers when the main is not fortran > > # Currently used for Yambo > > > > FFLAGS_NOMAIN = -nofor_main > > > > # Linker, linker-specific flags (if any) > > # Typically LD coincides with F90 or MPIF90, LD_LIBS is empty > > > > LD = mpif90 > > LDFLAGS = -static-intel > > LD_LIBS = -L/lib64 -lcublas -lcufft -lcudart > > > > # External Libraries (if any) : blas, lapack, fft, MPI > > > > # If you have nothing better, use the local copy : > > # BLAS_LIBS = /your/path/to/espresso/BLAS/blas.a > > # BLAS_LIBS_SWITCH = internal > > > > BLAS_LIBS = > /usr/local/codes/espresso/espresso-5.0.2/GPU/..//phiGEMM/lib/libphigemm.a > -lmkl_intel_lp64 -lmkl_sequential -lmkl_core > > BLAS_LIBS_SWITCH = external > > > > # If you have nothing better, use the local copy : > > # LAPACK_LIBS = /your/path/to/espresso/lapack-3.2/lapack.a > > # LAPACK_LIBS_SWITCH = internal > > # For IBM machines with essl (-D__ESSL): load essl BEFORE lapack ! > > # remember that LAPACK_LIBS precedes BLAS_LIBS in loading order > > > > # CBLAS is used in case the C interface for BLAS is missing (i.e. ACML) > > CBLAS_ENABLED = 0 > > > > LAPACK_LIBS = > > LAPACK_LIBS_SWITCH = external > > > > ELPA_LIBS_SWITCH = disabled > > SCALAPACK_LIBS = -lmkl_scalapack_lp64 -lmkl_blacs_openmpi_lp64 > > > > # nothing needed here if the the internal copy of FFTW is compiled > > # (needs -D__FFTW in DFLAGS) > > > > FFT_LIBS = -lfftw3 > > > > # For parallel execution, the correct path to MPI libraries must > > # be specified in MPI_LIBS (except for IBM if you use mpxlf) > > > > MPI_LIBS = > > > > # IBM-specific: MASS libraries, if available and if -D__MASS is defined > in FDFLAGS > > > > MASS_LIBS = > > > > # ar command and flags - for most architectures: AR = ar, ARFLAGS = ruv > > > > AR = ar > > ARFLAGS = ruv > > > > # ranlib command. If ranlib is not needed (it isn't in most cases) use > > # RANLIB = echo > > > > RANLIB = ranlib > > > > # all internal and external libraries - do not modify > > > > FLIB_TARGETS = all > > > > # CUDA section > > NVCC = > > NVCCFLAGS = -O3 -gencode arch=compute_35,code=sm_35 > > > > PHIGEMM_INTERNAL = 1 > > PHIGEMM_SYMBOLS = 1 > > MAGMA_INTERNAL = 0 > > > > LIBOBJS = ../flib/ptools.a ../flib/flib.a ../clib/clib.a > ../iotk/src/libiotk.a > > LIBS = $(SCALAPACK_LIBS) $(LAPACK_LIBS) $(FFT_LIBS) > $(BLAS_LIBS) $(MPI_LIBS) $(MASS_LIBS) $(LD_LIBS) > > > > # wget or curl - useful to download from network > > WGET = wget -O > > > > ================================================================= > > ================================================================= > > > > The following error occurs: > > > > ================================================================= > > make[3]: Entering directory > `/usr/local/codes/espresso/espresso-5.0.2/S3DE/iotk/src' > > make[3]: Nothing to be done for `loclib_only'. > > make[3]: Leaving directory > `/usr/local/codes/espresso/espresso-5.0.2/S3DE/iotk/src' > > mpif90 -static-intel -o iotk_print_kinds.x iotk_print_kinds.o > libiotk.a -L/lib64 -lcublas -lcufft -lcudart > > ld: cannot find -lcublas > > ld: cannot find -lcufft > > ld: cannot find -lcudart > > make[2]: *** [iotk_print_kinds.x] Error 1 > > make[2]: Leaving directory > `/usr/local/codes/espresso/espresso-5.0.2/S3DE/iotk/src' > > make[1]: *** [libiotk] Error 2 > > make[1]: Leaving directory > `/usr/local/codes/espresso/espresso-5.0.2/install' > > make: *** [libiotk] Error 2 > > ================================================================== > > > > Any suggestion will be highly aprreciated.Thank you in advance. > > > > Mohammad Moaddeli > > PhD student, > > Shahid Chamran University of Ahvaz > > _______________________________________________ > > Pw_forum mailing list > > [email protected] > > http://pwscf.org/mailman/listinfo/pw_forum > > -- > Mr. Filippo SPIGA, M.Sc. > http://filippospiga.info ~ skype: filippo.spiga > > «Nobody will drive us out of Cantor's paradise.» ~ David Hilbert > > ***** > Disclaimer: "Please note this message and any attachments are CONFIDENTIAL > and may be privileged or otherwise protected from disclosure. The contents > are not to be disclosed to anyone other than the addressee. Unauthorized > recipients are requested to preserve this confidentiality and to advise the > sender immediately of any error in transmission." > > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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