Search found 7 matches
- 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...
- 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
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
- 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?
- 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.
- 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.
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.
- 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...
- 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...