ABINIT Discussion Forums

Dear ALL:

When trying to do the response function calculation, I follow a similar scheme as tutorial "toptic1.in " to calculate DDK.
while properly converged K-mesh and energy cutoff are applied, log file tells me :

-P-0000 memana : ERROR -
-P-0000 Test failed to allocate 6243.982 Mbytes
-P-0000 It is not worth to continue
-P-0000 Action : modify input variable to fit the available memory.
-P-0000 or increase limit on available memory.

Thus I try to run the 6 datasets separately, and found that only dataset3, where full Brillouin Zone non-SCF calculation step causes this problem.

I purchased 16G memory for my own desktop computer, and there is no such problem. But I cannot run it forever in a personal computer.

When I turn back to the Cluster, it always has such information. (Thus I will try promote my level in the cluster, definitely)

Any possible solution to solve this Memory Allocation problem? Is there anyway to overcome this problem?

Thanks a lot!!


ps: when "ecut" is modified, say from 100 Ha to 10 Ha, a PC can run it in few minutes without any problem.
However, when ecut is increased, even a cluster cannot help to run it, and always show " Test failed to allocate " message.


Solution:

It appears to be a memory limit problem, however even when I get 32Gb memory, it still tells me that it fails to allocate 5Gb. This value is memory per core, so total is 5*Number of cores. However, it is actually not a memory problem, it is caused that it is compiled as 32bit program. When compiling Abinit, enable " --with-64bit-flag", will solve this problem.