Actually, given that it's DFTB, it seems unlikely to me that you could consume all system memory with one calculation. OOM condition can also be caused by too low memory limits. Please check your `ulimit -m`. Also, if you are using any kind of queue or resource management system, make sure you are using it correctly. -- You received this message because you are subscribed to the Google Groups "cp2k" group. To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com">cp2k+unsubscribe@googlegroups.com</a>. To view this discussion visit <a href="https://groups.google.com/d/msgid/cp2k/01aa9696-aa51-4a51-982a-7bcba046ce97n%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/01aa9696-aa51-4a51-982a-7bcba046ce97n%40googlegroups.com</a>.