How to compile V_sim with abinit plugin-in?  [SOLVED]

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Zhang Xiaole
Posts: 46
Joined: Thu Sep 15, 2011 7:13 am

How to compile V_sim with abinit plugin-in?

Post by Zhang Xiaole » Wed Feb 06, 2013 3:41 pm

Dear users,
i have some troubles during installtion V_sim with abinit-6.12.3.
The procedure i used as following
firstly, i compile abinit with --with-trio-flavor=none --enable-bindings prefix=DIR, the installtion works well.
then, i compile V_sim with --with-openbabel --with-xsf --with-abinit=DIr --with-netcdf-include=DIR --with-netcdf-libdir=DIR --with-libxc=DIR --with-etsf-io-include=DIR --with-etsf-io-libdir=DIR, DIR represent the dictory of these code respectively.
at last, i get the following warning:
configure: WARNING: ABINIT support has been disabled since ETSF_IO is not available.
i think the netcdf, libxc and estf-io have been installed appropriately.
i also attach my config.log file.
Any suggestions will be appreciate~



Zhang
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config.log
config.log
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Phd student
Phys Department
Shanghai JiaoTong university, Shanghai, China

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Alain_Jacques
Posts: 279
Joined: Sat Aug 15, 2009 9:34 pm
Location: Université catholique de Louvain - Belgium

Re: How to compile V_sim with abinit plugin-in?  [SOLVED]

Post by Alain_Jacques » Wed Feb 06, 2013 6:38 pm

Hi Zhang,

Reading your confg.log file ...
configure:26653: gfortran -o conftest -g -O2 -I/home/xiaole/ABINIT/abinit-7.0.5/fallbacks/sources/etsf_io-1.0.4/include/gcc -L/home/xiaole/ABINIT/abinit-7.0.5/fallbacks/sources/etsf_io-1.0.4/lib conftest.f90 -letsf_io -lnetcdff >&5
/usr/bin/ld: cannot find -lnetcdff
collect2: error: ld returned 1 exit status
configure:26653: $? = 1
configure: failed program was:
|
| program main
| use etsf_io


etsf-io detection failed ... at least because linking with netcdf is wrong: netcdff is only the fortran interface, correct linking needs the reference to the main library i.e. -lnetcdf, and the -L path is missing. So you have to tell configure to link netcdf with -lnetcdf (because abinit fallback netcdf has a combined library, no need to call the netcdff interface) and probably append the path to LD_LIBRARY_PATH environment variable.

Kind regards,

Alain'

Zhang Xiaole
Posts: 46
Joined: Thu Sep 15, 2011 7:13 am

Re: How to compile V_sim with abinit plugin-in?

Post by Zhang Xiaole » Fri Feb 15, 2013 5:48 am

Dear Alain,
Thank you , i will have a try
Phd student
Phys Department
Shanghai JiaoTong university, Shanghai, China

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