<div dir="ltr"><div class="gmail_default" style="font-family:georgia,serif;color:rgb(0,0,0)">Dear users <br></div><div class="gmail_default" style="font-family:georgia,serif;color:rgb(0,0,0)">usually i install QE by installing FFTW lib and Fortran complier. everything goes fine with serial and parallel installation of QE.<br>
</div><div class="gmail_default" style="font-family:georgia,serif;color:rgb(0,0,0)"><br>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 <a href="https://registrationcenter.intel.com/RegCenter/NComForm.aspx?ProductID=1540" target="_blank"><b>Intel® Parallel Studio XE 2013 for Linux</b></a> intel non-commerial package which includes C++, fortran compliers and mkl lib.<br>
<br></div><div class="gmail_default" style="font-family:georgia,serif;color:rgb(0,0,0)">Here i faced problem in configuring QE. i did this without installing <b>mpich2. </b>all process goes fine no problem i got serial version QE. but if i try with<b> mpich2, </b>pre-installed before QE configuration, i got the following error message and configuration stops. <br>
</div><div class="gmail_default" style="font-family:georgia,serif;color:rgb(0,0,0)"><br>slave2@slave2:~/espresso-5.0.1$ ./configure<br>checking build system type... x86_64-unknown-linux-gnu<br>checking architecture... x86_64<br>
checking for ifort... ifort<br>configure: WARNING: using cross tools not prefixed with host triplet<br>checking whether the Fortran compiler works... yes<br>checking for Fortran compiler default output file name... a.out<br>
checking for suffix of executables... <br>checking whether we are cross compiling... yes<br>checking for suffix of object files... o<br>checking whether we are using the GNU Fortran compiler... no<br>checking whether ifort accepts -g... yes<br>
checking for Fortran flag to compile .f90 files... none<br>checking for mpif90... mpif90<br>checking whether we are using the GNU Fortran compiler... no<br>checking whether mpif90 accepts -g... no<br>checking version of mpif90... unknown, assuming gfortran<br>
<b>configure: WARNING: parallel compiler mpif90 uses gfortran, but serial compiler ifort was detected<br>configure: WARNING: assuming F90=gfortran, discarding ifort</b><br>setting F90... gfortran<br>setting MPIF90... mpif90<br>
checking for cc... cc<br>checking whether we are using the GNU C compiler... yes<br>checking whether cc accepts -g... yes<br>checking for cc option to accept ISO C89... none needed<br>setting CC... cc<br>checking how to run the C preprocessor... cc -E<br>
checking for grep that handles long lines and -e... /bin/grep<br>checking for egrep... /bin/grep -E<br>checking for ANSI C header files... yes<br>checking for sys/types.h... yes<br>checking for sys/stat.h... yes<br>checking for stdlib.h... yes<br>
checking for string.h... yes<br>checking for memory.h... yes<br>checking for strings.h... yes<br>checking for inttypes.h... yes<br>checking for stdint.h... yes<br>checking for unistd.h... yes<br>checking size of int *... 8<br>
checking malloc.h usability... yes<br>checking malloc.h presence... yes<br>checking for malloc.h... yes<br>checking for struct mallinfo.arena... yes<br>checking for gfortran... no<br>checking whether we are using the GNU Fortran 77 compiler... no<br>
checking whether accepts -g... no<br>setting F77...<br>using F90... gfortran<br>setting FFLAGS... -O3 -g<br>setting F90FLAGS... $(FFLAGS) -x f95-cpp-input<br>setting FFLAGS_NOOPT... -O0 -g<br>setting CFLAGS... -O3<br>setting CPP... cpp<br>
setting CPPFLAGS... -P -traditional<br>setting LD... mpif90<br>setting LDFLAGS... -g<br>setting AR... ar<br>setting ARFLAGS... ruv<br>checking whether make sets $(MAKE)... yes<br>checking whether Fortran files must be preprocessed... no<br>
checking how to get verbose linking output from ... configure: WARNING: compilation failed<br><br>checking for Fortran 77 libraries of ... <br>checking for dummy main to link with Fortran 77 libraries... none<br>checking for Fortran 77 name-mangling scheme... configure: error: in `/home/slave2/espresso-5.0.1':<br>
configure: error: cannot compile a simple Fortran program<br>See `config.log' for more details.<br>slave2@slave2:~/espresso-5.0.1$<br><br></div><div class="gmail_default" style="font-family:georgia,serif;color:rgb(0,0,0)">
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 )<br><br>
</div><div class="gmail_default" style="font-family:georgia,serif;color:rgb(0,0,0)">any help will be appreciated <br></div><div class="gmail_default" style="font-family:georgia,serif;color:rgb(0,0,0)">thank you in advance <br>
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<br><div class="gmail_default" style="font-family:georgia,serif;display:inline">Muthu.V<br></div><div class="gmail_default" style="font-family:georgia,serif;display:inline">Project Fellow <br></div><div class="gmail_default" style="font-family:georgia,serif;display:inline">
School of Physics <br></div><div class="gmail_default" style="font-family:georgia,serif;display:inline">Madurai Kamaraj University<br></div><div class="gmail_default" style="font-family:georgia,serif;display:inline">India<br>
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