<div dir="ltr"><div><div><div>Dear Bahara,<br></div>Here is my environment_variables<br><br><br><br># environment_variables -- settings for running Quantum ESPRESSO examples<br><br>LC_ALL=C<br>export LC_ALL<br><br>######## YOU MAY NEED TO EDIT THIS FILE TO MATCH YOUR CONFIGURATION ########<br><br># BIN_DIR = path of compiled executables<br># Usually this is $PREFIX/bin, where $PREFIX is the root of the<br># Quantum ESPRESSO source tree.<br># PSEUDO_DIR = path of pseudopotentials required by the examples<br># if required pseudopotentials are not found in $PSEUDO_DIR,<br># example scripts will try to download them from NETWORK_PSEUDO<br># TMP_DIR = temporary directory to be used by the examples<br># Make sure that it is writable by you and that it doesn't contain<br># any valuable data (EVERYTHING THERE WILL BE DESTROYED)<br><br># The following should be good for most cases<br><br>PREFIX=`cd ../../.. ; pwd`<br>BIN_DIR=$PREFIX/bin<br>PSEUDO_DIR=$PREFIX/pseudo<br># Beware: everything in $TMP_DIR will be destroyed !<br>TMP_DIR=$PREFIX/tempdir<br><br># There should be no need to change anything below this line<br><br>NETWORK_PSEUDO=<a href="http://www.quantum-espresso.org/wp-content/uploads/upf_files/">http://www.quantum-espresso.org/wp-content/uploads/upf_files/</a><br><br><br># wget or curl needed if some PP has to be downloaded from web site<br># script wizard will surely find a better way to find what is available<br>if test "`which curl`" = "" ; then<br> if test "`which wget`" = "" ; then<br> echo "wget or curl not found: will not be able to download missing PP"<br> else<br> WGET="wget -O"<br> # echo "wget found"<br> fi<br>else<br> WGET="curl -o"<br> # echo "curl found"<br>fi<br><br># To run the ESPRESSO programs on a parallel machine, you may have to<br># add the appropriate commands (poe, mpirun, mpprun...) and/or options<br># (specifying number of processors, pools...) before and after the<br># executable's name. That depends on how your machine is configured.<br># For example on an IBM SP4:<br>#<br># poe pw.x -procs 4 < <a href="http://file.in">file.in</a> > file.out<br># ^^^ PARA_PREFIX ^^^^^^^^ PARA_POSTFIX<br>#<br># To run on a single processor, you can usually leave them empty.<br># BEWARE: most tests and examples are devised to be run serially or on<br># a small number of processors; do not use tests and examples to benchmark<br># parallelism, do not run on too many processors<br><br>PARA_PREFIX="mpirun -np 2"<br>PARA_PREFIX=" "<br>#<br># available flags:<br># -ni n number of images (or -nimage)<br># (only for NEB; for PHonon, see below)<br># -nk n number of pools (or -npool, -npools)<br># -nb n number of band groups (or -nbgrp,-nband_group)<br># -nt n number of task groups (or -ntg, -ntask_groups)<br># -nd n number of processors for linear algebra<br># (or -ndiag, -northo)<br>#<br>PARA_POSTFIX=" -nk 1 -nd 1 -nb 1 -nt 1 "<br>#<br># The following variables are used for image parallelization of PHonon<br># (see example in PHonon/examples/Image_example)<br># NB: the number of processors in PARA_IMAGE_PREFIX is the product of the<br># number of processors in PARA_PREFIX and the number of images in<br># PARA_IMAGE_POSTFIX<br>#<br>PARA_IMAGE_POSTFIX="-ni 2 $PARA_POSTFIX"<br>PARA_IMAGE_PREFIX="mpirun -np 4"<br><br># function to test the exit status of a job<br>check_failure () {<br> # usage: check_failure $?<br> if test $1 != 0<br> then<br> $ECHO "Error condition encountered during test: exit status = $1"<br> $ECHO "Aborting"<br> exit 1<br> fi<br>}<br><br><br></div>Now I should change my make.sys or not?<br></div>M. Pashangpour<br><div><div><br><br><br></div></div></div><div class="gmail_extra"><br><div class="gmail_quote">On Wed, Jun 29, 2016 at 3:03 PM, Bramha Pandey <span dir="ltr"><<a href="mailto:pandey.bramha@gmail.com" target="_blank">pandey.bramha@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><p dir="ltr">Yes. You can try with make yambo.<br>
Just one observation it seems you are not using parallel environment. I guess it will also not effect to compile yambo.</p><div class="HOEnZb"><div class="h5">
<div class="gmail_quote">On Jun 29, 2016 3:55 PM, "Mansoureh Pashangpour" <<a href="mailto:mansourehp@gmail.com" target="_blank">mansourehp@gmail.com</a>> wrote:<br type="attribution"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div><div><div>Dear Bramha,<br><br></div>Do you mean in make.sys, I change <br>MPIF90 = gfortran<br>#F90 = gfortran<br>CC = cc<br>F77 = gfortran<br><br>to<br><br>MPIF90 = gfortran<br>F90 = gfortran<br>CC = cc<br>F77 = gfortran<br></div> Thanks<br></div>M. pashangpour<br><div><div><br><br></div></div></div><div class="gmail_extra"><br><div class="gmail_quote">On Wed, Jun 29, 2016 at 2:29 PM, Mike Atambo <span dir="ltr"><<a href="mailto:mikeat4999@gmail.com" target="_blank">mikeat4999@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>Mansoureh:<br></div><div>I can not see anything unexpected in your config.log, </div><div>so would you mind providing the output of your `env` command?</div><div>possibly your environment may not be setup properly. </div><div>I have got yambo to compile using quantum-espresso 3.4.0</div><div>and `make yambo`, and prior to that i could compile yambo on the same </div><div>machine. Please do try the latest version of QE as this 5.0.2 you quote is several </div><div>releases behind, and its best practice to work with the most recent whenever there's</div><div>a problem,</div><div class="gmail_quote"><span><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div><div>Dear all,<br></div>I would like to install yambo package (yambo-3.2.1-r.448.tar.gz). I have installed espresso-5.0.2. after <br>./configure --with-iotk='/root/espresso-5.0.2/iotk' --with-p2y=5.0<br></div></div></blockquote><div><br></div></span><span><font color="#888888"><div>Mike.</div><div><br></div></font></span></div></div>
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