Search found 7 matches

by f4ding
Mon May 16, 2011 2:34 am
Forum: Ground state
Topic: General Question About Ab-initio MD
Replies: 0
Views: 1892

General Question About Ab-initio MD

I am wondering the suitability of using Abinit to simulate something in fluidic condensed phase. I am talking about polymer system, or oligomer system, with salt in the system, looking at the orbital interaction of the salt with the oligomer. How appropriate is abinit for this kind of simulation? Wh...
by f4ding
Tue Mar 08, 2011 2:42 am
Forum: Configuring and compiling ABINIT
Topic: [SOLVED] Abinit version 6.6.1 Compile error on OpenSUSE 11.3
Replies: 7
Views: 5813

Re: Abinit version 6.6.1 Compiling error on OpenSUSE 11.3

I know, but the latest is always the greatest, no? :p

The 'patch' is what missing I supposed. Because with it, the compile works like a charm.

Thank you to both of you! Err, I mean, thank you to Alain_Jacques
by f4ding
Tue Mar 08, 2011 12:25 am
Forum: Configuring and compiling ABINIT
Topic: Problem with enabling wannier90
Replies: 3
Views: 3181

Re: Problem with enabling wannier90

Is there a way to download the tarballs for the plugins manually and put it in the .abinit/tarballs directory?
by f4ding
Mon Mar 07, 2011 9:35 pm
Forum: Configuring and compiling ABINIT
Topic: [SOLVED] Abinit version 6.6.1 Compile error on OpenSUSE 11.3
Replies: 7
Views: 5813

Re: Abinit version 6.6.1 Compiling error on OpenSUSE 11.3

Well, I tried downloading the source again. Still would not compile. I even try the non-mpi and it came to a halt at the same file mentioned in the OP. Anybody actually got it to work? I'm just going to compile version 6.4.3.
by f4ding
Mon Mar 07, 2011 5:38 pm
Forum: Configuring and compiling ABINIT
Topic: [SOLVED] Abinit version 6.6.1 Compile error on OpenSUSE 11.3
Replies: 7
Views: 5813

Re: Abinit version 6.6.1 Compiling error on OpenSUSE 11.3

If I remove the --with-mpi-level="1", the same error occurs.

I also start over everytime I try to compile (unset or open new console, delete temp abinit directory, and unpack again).

Maybe my source is bad. I'm going to download again and see whether that will help.
by f4ding
Mon Mar 07, 2011 3:02 pm
Forum: Configuring and compiling ABINIT
Topic: [SOLVED] Abinit version 6.6.1 Compile error on OpenSUSE 11.3
Replies: 7
Views: 5813

Re: Abinit version 6.6.1 Compiling error on OpenSUSE 11.3

Hello, Thank you for the suggestion. I tried the config: ./config --enable-mpi="yes" --enable-mpi-io="yes" --with-mpi-prefix="/home/farid/mpi" --enable-64bit-flags="yes" --with-mpi-level="1" "make" also fails at the same stage. I have attac...
by f4ding
Mon Mar 07, 2011 12:00 am
Forum: Configuring and compiling ABINIT
Topic: [SOLVED] Abinit version 6.6.1 Compile error on OpenSUSE 11.3
Replies: 7
Views: 5813

[SOLVED] Abinit version 6.6.1 Compile error on OpenSUSE 11.3

Hello, My system specification: Intel 980X hexacore 12GB RAM NVIDIA 480M GPU Intel Compiler 11.1 (Also using MPICH2) OpenSUSE 11.3 x64 with kernel 2.6.34 Before compiling, I did: export CC=mpicc export CXX=mpicxx export FC=mpif90 When I try to compile with the following command: ./configure --enable...