Possible solutions:
- increase the amount of RAM you are authorized to use (which may be
much smaller than the available RAM).
Ask your system administrator if you don't know what to do.
- reduce nbnd to the strict minimum, or reduce the cutoffs,
or the cell size.
- use conjugate-gradient (diagonalization='cg': slow
but very robust) or DIIS (diagonalization='diis':
fast but not very robust):
both requires less memory than the default Davidson algorithm.
- in parallel execution, use more processors, or use the same number
of processors with less pools.
Remember that parallelization with respect to k-points (pools)
does not distribute memory: parallelization with respect to
R- (and G-) space does.
- IBM only (32-bit machines): if you need more than 256 MB you must
specify it at link time (option -bmaxdata).
- buggy or weird-behaving compiler.
Some versions of the Portland and Intel compilers on Linux PC's
or clusters have this problem. For Intel ifort 8.1, the problem
seems to be due to the allocation of large automatic arrays
that exceeds the available stack. Increasing the stack size
(with commands limits or ulimit) may solve the
problem.
The PWSCF Group - 2005-11-18
