<br><font size="4">Hello, <br><br>I am trying to install the current version 12.1 on Ubuntu 12.04 (64-bit). I met some problem related to mpi, can someone please give me some hint<font size="4">?</font> Thanks in advance. <br>
<br>The situation is like this, on a freshly installed Ubuntu 12.04 64bit, I installed current version Intel Fortran Composer XE 2013.2.146, and installed MPICH2 and FFTW3 via Ubuntu Software Center. <br><br>Before run the siteconfig_lapw, I checked <br>
<font>which ifort<br>/opt/intel/composer_xe_2013.2.146/bin/intel64/ifort<br>which mpif90<br>/usr/bin/mpif90</font><br><br>and did the following 3 lines in the terminal<br><font>source /opt/intel/composer_xe_2013.2.146/bin/compilervars.sh intel64<br>
export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/intel/composer_xe_2013.2.146/mkl/lib/intel64<br>export MKLROOT=/opt/intel/composer_xe_2013.2.146/mkl/</font><br><br>Then I run the siteconfig_lapw, and selected system as "ifort12+mkl" (the first one), selected compilers as "ifort" and "cc", selected "finegrained parallel" and "mpif90", and got error message like this: <br>
</font><br>----------------------------------------------- cut1 -----------------------------------------------<br>Compile time errors (if any) were:<br>SRC_hf/compile.msg:make[1]: *** [modules.o] Error 1<br>SRC_hf/compile.msg:make: *** [rp] Error 2<br>
SRC_hf/compile.msg:make[1]: *** [modules.o] Error 1<br>SRC_hf/compile.msg:make: *** [cp] Error 2<br>SRC_lapw0/compile.msg:make[1]: *** [modules.o] Error 1<br>SRC_lapw0/compile.msg:make: *** [para] Error 2<br>SRC_lapw1/compile.msg:make[1]: *** [modules.o] Error 1<br>
SRC_lapw1/compile.msg:make: *** [rp] Error 2<br>SRC_lapw1/compile.msg:make[1]: *** [modules.o] Error 1<br>SRC_lapw1/compile.msg:make: *** [cp] Error 2<br>SRC_lapw2/compile.msg:make[1]: *** [modules.o] Error 1<br>SRC_lapw2/compile.msg:make: *** [rp] Error 2<br>
SRC_lapw2/compile.msg:make[1]: *** [modules.o] Error 1<br>SRC_lapw2/compile.msg:make: *** [cp] Error 2<br>----------------------------------------------- cut1 -----------------------------------------------<br><br><font size="4">I looked into SRC_lapw1/compile.msg, and the detailed error is: </font><br>
<br>----------------------------------------------- cut2 -----------------------------------------------<br>mpif90 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -DFFTW3 -traceback -DParallel -c modules_tmp_.F<br>--------------------------------------------------------------------------<br>
The Open MPI wrapper compiler was unable to find the specified compiler<br>gfortran in your PATH.<br><br>Note that this compiler was either specified at configure time or in<br>one of several possible environment variables.<br>
--------------------------------------------------------------------------<br>make[1]: *** [modules.o] Error 1<br>make[1]: Leaving directory `/home/lzhang200/wien2k/SRC_lapw1'<br>make: *** [rp] Error 2<br>----------------------------------------------- cut2 -----------------------------------------------<br>
<font size="4"><br>It seems OpenMPI was invoked and it looked for gfortran<font size="4">. </font>I don't have gfortran installed at all<font size="4">, but I found I have openmpi installed.</font> I then <font size="4">used U<font size="4">buntu Softw<font size="4">are Center to search <font size="4">op<font size="4">enmpi and un<font size="4">installed related packages. I restarted the system and repeated the siteconfig_lapw. <br>
<font size="4">However I still get error message<font size="4">, not same but simil<font size="4">ar, it still looks for gfortran, for example<font size="4"> the </font></font></font></font></font></font></font></font></font></font></font><font size="4"><font size="4"><font size="4"><font size="4"><font size="4"><font size="4"><font size="4"><font size="4"><font size="4"><font size="4"><font size="4">SRC_lapw1/compile.msg shows:</font></font><br>
<br></font></font></font></font></font></font></font></font></font>----------------------------------------------- cut3 -----------------------------------------------<br>mpif90 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -DFFTW3 -traceback -DParallel -c modules_tmp_.F<br>
/usr/bin/mpif90: line 370: gfortran: command not found<br>make[1]: *** [modules.o] Error 127<br>make[1]: Leaving directory `/home/lzhang200/wien2k/SRC_lapw1'<br>make: *** [rp] Error 2<br>----------------------------------------------- cut3 -----------------------------------------------<br>
<br><font size="4">I did not specify to use gfortran anywhere in the setup<font size="4"> of siteconfig_lapw, </font>I <font size="4">don't</font> <font size="4">see</font> <font size="4">why <font size="4">mpif90</font> keeps looking for it. <font size="4">How <font size="4">can I <font size="4">fix this problem<font size="4">? Thank<font size="4">s a lot. <br>
<br><font size="4">Regards,<br><font size="4">Long Zhang</font><br></font></font></font></font></font></font></font></font>