Search found 5 matches

by jianglai
Wed Oct 13, 2010 7:47 pm
Forum: Configuring and compiling ABINIT
Topic: Compile 6.4.1 on Mac OS X 10.6.4 using gnu compiler
Replies: 8
Views: 9367

Re: Compile 6.4.1 on Mac OS X 10.6.4 using gnu compiler

Removing intent(out) works. Also I have to remove intent(out) for taug and taur. Thanks a lot! PS: I was able to compile 6.4.1 on linux with GNU compiler without modifying the source code. So is this "pointer/intent(out) incompatibility" really because of the F90 specification or it's gfor...
by jianglai
Wed Oct 13, 2010 5:24 pm
Forum: Configuring and compiling ABINIT
Topic: Compile 6.4.1 on Mac OS X 10.6.4 using gnu compiler
Replies: 8
Views: 9367

Re: Compile 6.4.1 on Mac OS X 10.6.4 using gnu compiler

They are all GCC 4.2.1 (Apple build 5664), I'v got the gfortran from AT&T's website and the rest of GNU compiler from xcode 3.2.4. The -march failure with gcc makes me think that you're mixing different releases of gnu compilers - not a good idea. I would advise to check that the gfortran, gcc a...
by jianglai
Tue Oct 12, 2010 9:22 pm
Forum: Configuring and compiling ABINIT
Topic: Compile 6.4.1 on Mac OS X 10.6.4 using gnu compiler
Replies: 8
Views: 9367

Re: Compile 6.4.1 on Mac OS X 10.6.4 using gnu compiler

Thanks a lot for the reply. The CFLAGS solved this problem but another emerges: --------------------------------------- gfortran -m64 -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs -ffree-form -J/Users/jianglai/Downloads/abinit-6.4.1/src/mods -O2 -m64 -g -ffree-line-length-none -c -o ...
by jianglai
Tue Oct 12, 2010 1:36 am
Forum: Configuring and compiling ABINIT
Topic: Compile 6.4.1 on Mac OS X 10.6.4 using gnu compiler
Replies: 8
Views: 9367

Compile 6.4.1 on Mac OS X 10.6.4 using gnu compiler

Hi, I've had no problem compiling previous versions (6.2.3, etc) using GNU compilers on my Mac as long as i disable libxc and netcdf. But with 6.4.1 I've got the following error: ---------------------------------------------------- gfortran -m64 -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../s...
by jianglai
Mon Jan 25, 2010 9:53 pm
Forum: Response calculations
Topic: Phonon Eigendisplacement
Replies: 1
Views: 3496

Phonon Eigendisplacement

Dear all, After a phonon calculation at Gamma point how could I obtain the phonon eigendisplacements? It seems the output file only contains eigenfrequencies. I tried to use anaddb (activate eivec=1 and nothing else in the anaddb input file) but it only gives me effective charge tensors... Is there ...