[gmx-users] ibm regatta p690 (power4) / illegal instruction

[Erik Wensink]

Hi all,

Trying to launch a pme job on an ibm regatta p690 (power4).
That ends like below, same job with cut-off goes OK.
Thus something with the fft libs may cause this.
Tried to use --enable-threads when compiling fftw,
since the load leveler of the machine requires thread safe compilaiton,
but this gave no relieve. Anyone dealt with this problem?

best regards,
Erik


starting mdrun 'ETHANOL_IN_WATER'
5000 steps,     10.0 ps.

ERROR: 0031-250  task 1: Illegal instruction
ERROR: 0031-250  task 3: Illegal instruction
ERROR: 0031-250  task 2: Illegal instruction
ERROR: 0031-250  task 0: Illegal instruction