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Hi Everyone,<br>
I'm trying to compile a parallel version of Quantum Espresso(QE)
version 5.0.2 on the my i7 laptop and also later do that on quad
core desktops.<br>
<br>
I already know how to compile it in its serial form but I want it in
parallel so I read around and followed a few posts but I have some
few problems in getting it done.<br>
<br>
I'm using ubuntu 14.04 LTS and I have installed gfortran<br>
<br>
Openmp:<br>
I've compiled openmp on the system and it runs well. I have even
tried to compile some of the example codes(hello_c.c) and run them
and I'm successful with that.<br>
<br>
FFTW:<br>
These are the configuration and Install steps I did for the
fftw-3.3.4:<br>
1. <font face="Courier New, Courier, monospace"> ./configure
--prefix /usr</font><br>
2. <font face="Courier New, Courier, monospace">sudo make -j4
all install</font><br>
<br>
and when it was done, I moved into my espresso directory to do the
following:<br>
<br>
Quantum Espresso:<br>
1. <font face="Courier New, Courier, monospace">./configure
--prefix=/home/elliot/espresso-para/espresso-5.0.2/
--with-internal-blas --with-internal-lapack --with-scalapack
--enable-openmp --enable-parallel FFT_LIBS=/usr/lib/libfftw3.a</font><br>
<br>
2. <font face="Courier New, Courier, monospace">make all</font><br>
<br>
But when I invoke <font face="Courier New, Courier, monospace">make
all</font>, I get the error below:<br>
<br>
Error: Symbol 'mpi_max' at (1) has no IMPLICIT type<br>
make[1]: *** [fft_custom.o] Error 1<br>
make[1]: Leaving directory
`/home/elliot/espresso-para/espresso-5.0.2/Modules'<br>
make: *** [mods] Error 2<br>
<br>
Can you please help me out in a step-by-step procedure.<br>
<br>
Thank you.<br>
<br>
Kind Regards,<br>
<br>
Elliot<br>
<pre class="moz-signature" cols="72">--
Elliot S. Menkah
Research Student - Computational Chemistry/ Computational Material Science
Theoretical and Computational Chemistry
Dept. of Chemistry
Kwame Nkrumah UNiversity of Sci. and Tech.
Kumasi
Ghana
Tel: +233 243-055-717
Alt Email: <a class="moz-txt-link-abbreviated" href="mailto:elliotsmenkah@gmail.com">elliotsmenkah@gmail.com</a>
<a class="moz-txt-link-abbreviated" href="mailto:elliotsmenkah@hotmail.com">elliotsmenkah@hotmail.com</a>
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