Dear users usually i install QE by installing FFTW lib and Fortran complier. everything goes fine with serial and parallel installation of QE.
but i heard that using intel C++, fortran (ifort, icc ) compliers for intel core(i am using intel i5 core) improves performance so i decided to install above two for this i used *Intel? Parallel Studio XE 2013 for Linux* <https://registrationcenter.intel.com/RegCenter/NComForm.aspx?ProductID=1540> intel non-commerial package which includes C++, fortran compliers and mkl lib. Here i faced problem in configuring QE. i did this without installing *mpich2. *all process goes fine no problem i got serial version QE. but if i try with* mpich2, *pre-installed before QE configuration, i got the following error message and configuration stops. slave2 at slave2:~/espresso-5.0.1$ ./configure checking build system type... x86_64-unknown-linux-gnu checking architecture... x86_64 checking for ifort... ifort configure: WARNING: using cross tools not prefixed with host triplet checking whether the Fortran compiler works... yes checking for Fortran compiler default output file name... a.out checking for suffix of executables... checking whether we are cross compiling... yes checking for suffix of object files... o checking whether we are using the GNU Fortran compiler... no checking whether ifort accepts -g... yes checking for Fortran flag to compile .f90 files... none checking for mpif90... mpif90 checking whether we are using the GNU Fortran compiler... no checking whether mpif90 accepts -g... no checking version of mpif90... unknown, assuming gfortran *configure: WARNING: parallel compiler mpif90 uses gfortran, but serial compiler ifort was detectedconfigure: WARNING: assuming F90=gfortran, discarding ifort* setting F90... gfortran setting MPIF90... mpif90 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... no checking whether we are using the GNU Fortran 77 compiler... no checking whether accepts -g... no setting F77... using F90... gfortran setting FFLAGS... -O3 -g setting F90FLAGS... $(FFLAGS) -x f95-cpp-input setting FFLAGS_NOOPT... -O0 -g setting CFLAGS... -O3 setting CPP... cpp setting CPPFLAGS... -P -traditional setting LD... mpif90 setting LDFLAGS... -g setting AR... ar setting ARFLAGS... ruv checking whether make sets $(MAKE)... yes checking whether Fortran files must be preprocessed... no checking how to get verbose linking output from ... configure: WARNING: compilation failed checking for Fortran 77 libraries of ... checking for dummy main to link with Fortran 77 libraries... none checking for Fortran 77 name-mangling scheme... configure: error: in `/home/slave2/espresso-5.0.1': configure: error: cannot compile a simple Fortran program See `config.log' for more details. slave2 at slave2:~/espresso-5.0.1$ anybody can help me in fixing this issue. ie i want icc, ifort complier ( as these improves performance) along with parallel version QE ie with mpich2 ( which requires gfortran complier, according to error message ) any help will be appreciated thank you in advance *__________________________________* ?Muthu.V Project Fellow School of Physics Madurai Kamaraj University India *__________________________________?* -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140604/9c4f205e/attachment.html
