how to compile the yambo with ifort and openmich

Having trouble compiling the Yambo source? Using an unusual architecture? Problems with the "configure" script? Problems in GPU architectures? This is the place to look.

Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano, Conor Hogan, Nicola Spallanzani

Forum rules
If you have trouble compiling Yambo, please make sure to list:
(1) the compiler (vendor and release: e.g. intel 10.1)
(2) the architecture (e.g. 64-bit IBM SP5)
(3) if the problems occur compiling in serial/in parallel
(4) the version of Yambo (revision number/major release version)
(5) the relevant compiler error message
Post Reply
artingchen
Posts: 7
Joined: Wed Jan 04, 2012 1:06 pm
Location: Beihang University, Beijing, China

how to compile the yambo with ifort and openmich

Post by artingchen » Sun Jan 08, 2012 7:06 am

Hi,
everybody, I am a new yambo user. And recently I try to compile the yambo code. But I always failed. The process I complied as follows:

./configure --prefix=/home/supercaq/yambo-3 FC=/opt/openmpi/bin/mpif90 F77=/opt/openmpi/bin/mpif77 CC=/opt/openmpi/bin/mpicc

and then errors came up:
checking for Fortran libraries of /opt/openmpi/bin/mpif90... -L/opt/openmpi/lib -L/opt/intel/composer_xe_2011_sp1.7.256/compiler/lib/intel64 -L/usr/lib/gcc/x86_64-redhat-linux/4.4.5 -L/usr/lib/gcc/x86_64-redhat-linux/4.4.5/../../../../lib64 -L/lib/../lib64 -L/usr/lib/../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.4.5/../../.. -L/lib64 -L/lib -L/usr/lib64 -L/usr/lib -lmpichf90nc -lmpich -lpthread -lrt -lifport -lifcore -limf -lsvml -lm -lipgo -lirc -lirc_s -ldl
checking for dummy main to link with Fortran libraries... none
checking for Fortran name-mangling scheme... lower case, underscore, no extra underscore
checking for external C routine (test) naming scheme... test_
checking for Fortran flag needed to accept free-form source... none
checking fortran 90 modules inclusion flag... -I
configure: testing preprocessor /opt/openmpi/bin/mpicc -E -ansi
checking if precompiler works on C source... yes
checking if precompiler works on F90 source... no
configure: error: Found precompiler problems in processing the F90/C source.

The version of yambo is yambo-3.2.4-r.855. the compiler is ifort and the version of openmpi is openmpi-1.4.4

How can I solve such problem ? any suggestion is appreciated ! thank you! By the way, the config.log file was attached.

Aqing
You do not have the required permissions to view the files attached to this post.
Aqing Chen
School of physics, Beihang University
China

User avatar
Daniele Varsano
Posts: 3816
Joined: Tue Mar 17, 2009 2:23 pm
Contact:

Re: how to compile the yambo with ifort and openmich

Post by Daniele Varsano » Sun Jan 08, 2012 7:59 am

Dear Aqing,
please fill your signature complete of affiliation, this is a rule of the forum.
It looks you are having precompiler problems. Try to set:
./configure FC=ifort F77=ifort CC=icc CPP=gcc --enable-msgs-comps
and look if it works, after typing make clean.
You can also look at other thread on this topic in the forum, and may be
you can find useful information there.

Cheers,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/

artingchen
Posts: 7
Joined: Wed Jan 04, 2012 1:06 pm
Location: Beihang University, Beijing, China

Re: how to compile the yambo with ifort and openmich

Post by artingchen » Sun Jan 08, 2012 11:01 am

Dear Daniele,
Thank you for reply. I recompiled the yambo code again following your suggestions again listed below:
$ make clean
$./configure FC=ifort F77=ifort CC=icc CPP=gcc --enable-msgs-comps

But, another errors came up.
checking for icc option to accept ISO C89... none needed
checking how to run the C preprocessor... gcc
configure: error: in `/home/supercaq/yambo-3.2.4-r.855':
configure: error: C preprocessor "gcc" fails sanity check
See `config.log' for more details
[supercaq@localhost yambo-3.2.4-r.855]$

How to solve it? can you help me again ? The config.log file was also attached.

I am completing my signature. thank you !

Aqing
You do not have the required permissions to view the files attached to this post.
Aqing Chen
School of physics, Beihang University
China

User avatar
myrta gruning
Posts: 240
Joined: Tue Mar 17, 2009 11:38 am
Contact:

Re: how to compile the yambo with ifort and openmich

Post by myrta gruning » Mon Jan 09, 2012 10:53 am

Hallo

try to leave out the CPP. If still not working try with "icc -E -ansi"

Best
m
Dr Myrta Grüning
School of Mathematics and Physics
Queen's University Belfast - Northern Ireland

http://www.researcherid.com/rid/B-1515-2009

Post Reply