Search found 455 matches
- Wed Jun 05, 2013 11:00 am
- Forum: Configuring and compiling ABINIT
- Topic: configure error on 7.3.3 [SOLVED]
- Replies: 11
- Views: 16470
Re: configure error on 7.3.3 [SOLVED]
Here is what I have in the .ac file: enable_64bit_flags="yes" enable_optim="aggressive" enable_mpi="yes" enable_mpi_io="yes" FC=mpif90 I've noticed that even with mpi_prefix there is the same problem. I noticed that from the apt-get install the prefix location...
- Wed Jun 05, 2013 10:16 am
- Forum: Configuring and compiling ABINIT
- Topic: configure error on 7.3.3 [SOLVED]
- Replies: 11
- Views: 16470
Re: configure error on 7.3.3 [SOLVED]
Oups, sorry, here is the config.log file,
Eric
Eric
- Tue Jun 04, 2013 3:51 pm
- Forum: Configuring and compiling ABINIT
- Topic: configure error on 7.3.3 [SOLVED]
- Replies: 11
- Views: 16470
configure error on 7.3.3 [SOLVED]
Dear everybody, I've just downloaded the last 7.3.3 branch and with respect to the 7.3.2 I have the following error on .configure: ============================================================================== === Multicore architecture support === ===================================================...
- Tue May 10, 2011 3:02 pm
- Forum: Response calculations
- Topic: Max nsym and supercell in anaddb
- Replies: 3
- Views: 3830
Re: Max nsym and supercell in anaddb
OK guys, I come back a bit later on this small problem and it's easy to solve: The maximum number of symmetry (msym in mrgddb.F90 and anaddb.F90) have to be set up to a larger number. It works fine when done. So this is something that have to be changed in future versions when using super-cell (chkp...
- Tue Apr 19, 2011 11:36 am
- Forum: Response calculations
- Topic: Max nsym and supercell in anaddb
- Replies: 3
- Views: 3830
Max nsym and supercell in anaddb
Dear all, To my knowledge, I didn't see this problem reported before: When doing a DFPT phonon calculation in a cubic supercell (here a 2x2x2 cubic perovskite) there is an error message in mrgddb and anaddb saying that the maximum number of symmetry is 192 while in the supercell it is 384 (which is ...