vasp.5.2.12/gfortran 4.1.2 problem
Posted: Thu Oct 06, 2011 1:17 am
Hi,
i have a minor problem with vasp.5.2.12/gfortran 4.1.2:
./preprocess <bse.F | /usr/bin/cpp -P -C -traditional >bse.f90 -DHOST=\"Linuxgfortran\" -Dkind8 -DCACHE_SIZE=12000 -Dgfortran -Davoidalloc -DNGXhalf
gfortran -ffree-form -ffree-line-length-none -I/opt/fftw3/3.2.1/include -O3 -funroll-all-loops -c bse.f90
In file bse.f90:153
INTEGER, ALLOCATABLE :: N1(:) ! valence band index
1
Error: Attribute at (1) is not allowed in a TYPE definition
Similar for:
INTEGER, ALLOCATABLE :: N3(:) ! conduction band index
INTEGER, ALLOCATABLE :: NK(:) ! k-point index
INTEGER, ALLOCATABLE :: ISP(:) ! spin index
INTEGER, ALLOCATABLE :: INDEX(:,:,:,:) ! yield index into Hamilton matrix
It seems that gfortran 4.1.2 is old, but this can be fixed by using pointer instead of allocatable,
see http://www.groupsrv.com/computers/about548043.html and http://code.google.com/p/fds-smv/issues/detail?id=1001.
Fix would be valuable as gfortran 4.1.2 is still the main compiler on RedHat 5, which is probably the most common system on custom beowulf clusters.
i have a minor problem with vasp.5.2.12/gfortran 4.1.2:
./preprocess <bse.F | /usr/bin/cpp -P -C -traditional >bse.f90 -DHOST=\"Linuxgfortran\" -Dkind8 -DCACHE_SIZE=12000 -Dgfortran -Davoidalloc -DNGXhalf
gfortran -ffree-form -ffree-line-length-none -I/opt/fftw3/3.2.1/include -O3 -funroll-all-loops -c bse.f90
In file bse.f90:153
INTEGER, ALLOCATABLE :: N1(:) ! valence band index
1
Error: Attribute at (1) is not allowed in a TYPE definition
Similar for:
INTEGER, ALLOCATABLE :: N3(:) ! conduction band index
INTEGER, ALLOCATABLE :: NK(:) ! k-point index
INTEGER, ALLOCATABLE :: ISP(:) ! spin index
INTEGER, ALLOCATABLE :: INDEX(:,:,:,:) ! yield index into Hamilton matrix
It seems that gfortran 4.1.2 is old, but this can be fixed by using pointer instead of allocatable,
see http://www.groupsrv.com/computers/about548043.html and http://code.google.com/p/fds-smv/issues/detail?id=1001.
Fix would be valuable as gfortran 4.1.2 is still the main compiler on RedHat 5, which is probably the most common system on custom beowulf clusters.