<div dir="ltr"><div class="gmail_default" style="font-family:arial black,sans-serif">this is not an iotk error, but a user error.</div><div class="gmail_default" style="font-family:arial black,sans-serif"><br></div><div class="gmail_default" style="font-family:arial black,sans-serif">
you specified "ifort" as MPI compiler wrapper, but it isn't and neither did you point the configure script to the location of the MPI library and headers.</div><div class="gmail_default" style="font-family:arial black,sans-serif">
<br></div><div class="gmail_default" style="font-family:arial black,sans-serif">how to compile QE with MPI has been explained a gazillion times on this mailing list. even more so, there are plenty of MPI tutorials around and documents that explain how to compile MPI applications.</div>
<div class="gmail_default" style="font-family:arial black,sans-serif"><br></div><div class="gmail_default" style="font-family:arial black,sans-serif">please stop being ignoring all that useful information and first teach yourself how to properly compile a parallel program (or let a local colleague teach you) and *then* come back. all this random trial and error is not going to lead anywhere and will frustrate you and people subscribed to this list. this really isn't rocket science.</div>
<div class="gmail_default" style="font-family:arial black,sans-serif"><br></div><div class="gmail_default" style="font-family:arial black,sans-serif">axel.</div><div class="gmail_default" style="font-family:arial black,sans-serif">
<br></div><div class="gmail_default" style="font-family:arial black,sans-serif"> </div></div><div class="gmail_extra"><br><br><div class="gmail_quote">On Wed, Jun 11, 2014 at 3:18 AM, Muthu V <span dir="ltr"><<a href="mailto:muthu.physicsmath@gmail.com" target="_blank">muthu.physicsmath@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div class="gmail_default" style="font-family:georgia,serif;color:rgb(0,0,0)">Dear QE users<br><br></div>
<div class="gmail_default" style="font-family:georgia,serif;color:rgb(0,0,0)">I tried to install QE-5.0.3 using ifort and icc compliers. the following is message printed during compilation <br>
<br><b>slave2@slave2:~/espresso-5.0.3$ ./configure F77=ifort F90=ifort MPIF90=ifort CC=icc BLAS_LIBS="/opt/intel/mkl/lib/intel64/" LAPACK_LIBS="/opt/intel/mkl/lib/intel64/ /opt/intel/composer_xe_2013_sp1.3.174/mkl/lib/intel64/" FFT_LIB="/opt/intel/mkl/lib/intel64/" </b><br>
<br><br></div><div class="gmail_default" style="font-family:georgia,serif;color:rgb(0,0,0)">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 ifort... ifort<br>checking whether we are using the GNU Fortran compiler... no<br>
checking whether ifort accepts -g... yes<br>checking version of ifort... ifort 14.0.3.174<br>setting F90... ifort<br>setting MPIF90... ifort<br>checking whether we are using the GNU C compiler... yes<br>checking whether icc accepts -g... yes<br>
checking for icc option to accept ISO C89... none needed<br>setting CC... icc<br>checking how to run the C preprocessor... icc -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 whether we are using the GNU Fortran 77 compiler... no<br>checking whether ifort accepts -g... yes<br>setting F77... ifort<br>using F90... ifort<br>setting FFLAGS... -O2 -assume byterecl -g -traceback -par-report0 -vec-report0<br>
setting F90FLAGS... $(FFLAGS) -nomodule<br>setting FFLAGS_NOOPT... -O0 -assume byterecl -g -traceback<br>setting FFLAGS_NOMAIN... -nofor_main<br>setting CFLAGS... -O3<br>setting CPP... cpp<br>setting CPPFLAGS... -P -traditional<br>
setting LD... ifort<br>setting LDFLAGS...<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 ifort... -v<br>
checking for Fortran 77 libraries of ifort... -L/opt/intel/composer_xe_2013_sp1.3.174/compiler/lib/intel64 -L/usr/lib/gcc/x86_64-linux-gnu/4.7/ -L/usr/lib/gcc/x86_64-linux-gnu/4.7/../../../x86_64-linux-gnu/ -L/usr/lib/gcc/x86_64-linux-gnu/4.7/../../../../lib/ -L/lib/x86_64-linux-gnu/ -L/lib/../lib64 -L/lib/../lib/ -L/usr/lib/x86_64-linux-gnu/ -L/usr/lib/../lib/ -L/usr/lib/gcc/x86_64-linux-gnu/4.7/../../../ -L/lib64 -L/lib/ -L/usr/lib -lifport -lifcore -limf -lsvml -lm -lipgo -lirc -lpthread -lirc_s -ldl<br>
checking for dummy main to link with Fortran 77 libraries... none<br>checking for Fortran 77 name-mangling scheme... lower case, underscore, no extra underscore<br>setting BLAS_LIBS... /opt/intel/mkl/lib/intel64/<br>setting LAPACK_LIBS... /opt/intel/mkl/lib/intel64/ /opt/intel/composer_xe_2013_sp1.3.174/mkl/lib/intel64/<br>
checking for library containing dfftw_execute_dft... -lfftw3<br>setting FFT_LIBS... -lfftw3<br>setting MASS_LIBS...<br>checking for library containing mpi_init... -lmpi<br>setting MPI_LIBS... -lmpi<br>checking for library containing mpi_init... (cached) -lmpi<br>
<b>checking for library containing pdgemr2d... no<br>checking for library containing pdgemr2d... no<br>checking for library containing pdgemr2d... no<br>checking for library containing pdgemr2d... no</b><br>setting DFLAGS... -D__INTEL -D__FFTW3 -D__MPI -D__PARA<br>
setting IFLAGS... -I../include<br>setting FDFLAGS... $(DFLAGS)<br>checking for ranlib... ranlib<br>setting RANLIB... ranlib<br>checking for wget... wget -O<br>setting WGET... wget -O<br>configure: creating ./config.status<br>
config.status: creating include/fft_defs.h<br>config.status: creating make.sys<br>config.status: creating configure.msg<br>config.status: creating install/make_wannier90.sys<br>config.status: creating install/make_blas.inc<br>
config.status: creating install/make_lapack.inc<br>config.status: creating include/c_defs.h<br>config.status: include/c_defs.h is unchanged<br>--------------------------------------------------------------------<br>ESPRESSO can take advantage of several optimized numerical libraries<br>
(essl, fftw, mkl...). This configure script attempts to find them,<br>but may fail if they have been installed in non-standard locations.<br>If a required library is not found, the local copy will be compiled.<br><br>The following libraries have been found:<br>
BLAS_LIBS=/opt/intel/mkl/lib/intel64/<br> LAPACK_LIBS=/opt/intel/mkl/lib/intel64/ /opt/intel/composer_xe_2013_sp1.3.174/mkl/lib/intel64/<br> FFT_LIBS= -lfftw3 <br> MPI_LIBS=-lmpi <br>Please check if this is what you expect.<br>
<br>If any libraries are missing, you may specify a list of directories<br>to search and retry, as follows:<br> ./configure LIBDIRS="list of directories, separated by spaces"<br><br>Parallel environment detected successfully.\<br>
Configured for compilation of parallel executables.<br><br>For more info, read the ESPRESSO User's Guide (Doc/users-guide.tex).<br>--------------------------------------------------------------------<br>configure: success<br>
<br></div><div class="gmail_default" style="font-family:georgia,serif;color:rgb(0,0,0)">whether this configuration is correct?<br><br></div><div class="gmail_default" style="font-family:georgia,serif;color:rgb(0,0,0)">there are lot of "NOs" i understood first few. but whether <b>pdgemr2d </b>are needed for ifort<b>? since some NOs are<br>
</b></div><div class="gmail_default" style="font-family:georgia,serif;color:rgb(0,0,0)"><b>checking for library containing pdgemr2d... no<br>checking for library containing pdgemr2d... no<br>checking for library containing pdgemr2d... no<br>
checking for library containing pdgemr2d... no</b>. <br><br></div><div class="gmail_default" style="font-family:georgia,serif;color:rgb(0,0,0)">Second Question:<br></div><div class="gmail_default" style="font-family:georgia,serif;color:rgb(0,0,0)">
finally i hit make all and it ended with error.<br><br><b>slave2@slave2:~/espresso$ make all</b><br>test -d bin || mkdir bin<br>cd install ; make -f extlibs_makefile libiotk<br>make[1]: Entering directory `/home/slave2/espresso/install'<br>
if test ! -d ../S3DE; then \<br> (gzip -dc ../archive/iotk-1.2.beta.tar.gz | (cd ../; tar -xvf -)) ; \<br> if test -e Makefile_iotk; then \<br> (cp Makefile_iotk ../S3DE/iotk/src/Makefile); fi; \<br> if test -e iotk_config.h; then \<br>
(cp iotk_config.h ../S3DE/iotk/include/iotk_config.h); fi; fi<br>cd ../S3DE/iotk/src; make lib+util; <br>make[2]: Entering directory `/home/slave2/espresso/S3DE/iotk/src'<br>ifort -O2 -assume byterecl -g -traceback -par-report0 -vec-report0 -nomodule -fpp -D__INTEL -D__FFTW3 -D__MPI -D__PARA -I../include -c iotk_error.f90<br>
iotk_error.f90(473): error #5102: Cannot open include file 'mpif.h'<br> include 'mpif.h'<br>----------^<br>iotk_error.f90(499): error #6404: This name does not have a type, and must have an explicit type. [MPI_COMM_WORLD]<br>
call MPI_Abort(MPI_COMM_WORLD,1,ierrx)<br>-----------------^<br>compilation aborted for iotk_error.f90 (code 1)<br>make[2]: *** [iotk_error.o] Error 1<br>make[2]: Leaving directory `/home/slave2/espresso/S3DE/iotk/src'<br>
make[1]: *** [libiotk] Error 2<br>make[1]: Leaving directory `/home/slave2/espresso/install'<br>make: *** [libiotk] Error 2<br>slave2@slave2:~/espresso$ <br><br></div><div class="gmail_default" style="font-family:georgia,serif;color:rgb(0,0,0)">
How to resolve this problem <br><br></div><div class="gmail_default" style="font-family:georgia,serif;color:rgb(0,0,0)">thank you in advance<br></div><div><div dir="ltr"><span style="background-color:rgb(243,243,243)"><span style="font-family:georgia,serif"><span style="color:rgb(0,0,255)"><i><span style="font-size:12pt;line-height:115%"><b>*******************************<span class="HOEnZb"><font color="#888888"><br>
</font></span></b></span></i><span class="HOEnZb"><font color="#888888"><b><font><span style="line-height:115%"><span style="line-height:115%">Muthu.V</span><span style="line-height:150%"> <br><div class="gmail_default" style="font-family:georgia,serif;display:inline">
Project Fellow<br>
</div>Madurai Kamaraj
Universit</span></span><span style="line-height:115%"><span style="line-height:150%">y</span><span style="line-height:115%"></span></span></font><span style="font-size:12pt;line-height:115%"><span style="font-size:12pt;line-height:115%"><span></span></span></span></b></font></span></span><span class="HOEnZb"><font color="#888888"><i><span style="font-size:12pt;line-height:115%;color:black"><b><span style="color:rgb(0,0,255)"><span style="font-family:georgia,serif"><i><span style="font-size:12pt;line-height:115%"></span></i></span><span style="font-family:georgia,serif"><i><span style="font-size:12pt;line-height:115%"><b><br>
*******************************<br></b></span></i></span></span></b></span></i></font></span></span></span><br><span style="font-family:georgia,serif"><i><span style="font-size:12pt;line-height:115%;color:black"><b></b></span></i></span></div>
</div>
</div>
<br>_______________________________________________<br>
Pw_forum mailing list<br>
<a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>
<a href="http://pwscf.org/mailman/listinfo/pw_forum" target="_blank">http://pwscf.org/mailman/listinfo/pw_forum</a><br></blockquote></div><br><br clear="all"><div><br></div>-- <br>Dr. Axel Kohlmeyer <a href="mailto:akohlmey@gmail.com" target="_blank">akohlmey@gmail.com</a> <a href="http://goo.gl/1wk0" target="_blank">http://goo.gl/1wk0</a><br>
College of Science & Technology, Temple University, Philadelphia PA, USA<br>International Centre for Theoretical Physics, Trieste. Italy.
</div>