Thanx for your reply,
I changed the siesta_forces.F file and it fixed compiling problem but now i
get some wierd error while i try to run any test or my calculations.
mpirun -n 8 siesta <input.fdf > out.fdf
ERROR(FoX)
xml_AddAttribute: Invalid character in value
when i check the out file it seems the PAO.basis block is well done but the
next lines are
prinput:
----------------------------------------------------------------------
coor: Atomic-coordinates input format = Cartesian coordinates
coor: (in Angstroms)
siesta: Atomic coordinates (Bohr) and species
siesta: 1.30391 2.25844 0.00000 1 1
siesta: 2.60782 0.00000 0.00000 1 2
siesta: 1.30391 -2.25844 0.00000 1 3
siesta: -1.30391 -2.25844 0.00000 1 4
siesta: -2.60782 0.00000 0.00000 1 5
siesta: -1.30391 2.25844 0.00000 1 6
siesta: 2.30547 3.99319 0.00000 2 7
siesta: 4.61093 0.00000 0.00000 2 8
siesta: 2.30547 -3.99319 0.00000 2 9
siesta: -2.30547 -3.99319 0.00000 2 10
siesta: -4.61093 0.00000 0.00000 2 11
siesta: -2.30547 3.99319 0.00000 2 12
siesta: System type = molecule
rank 0 in job 19 tuz_42241 caused collective abort of all ranks
exit status of rank 0: killed by signal 9
Thanks for help again. I could not understand the error here, may be system
type?
