Dear Axel, Sorry for being unclear in my question. The solution is "print level" as you suggested and problems are not complicated as I thought. Thanks again, Bests, Manh <div class="gmail_quote"> On Mon, Jan 26, 2009 at 2:16 AM, Axel <<a href="mailto:akoh...@gmail.com">akoh...@gmail.com</a>> wrote: <blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"> On Jan 25, 3:51 pm, Manh <<a href="mailto:manht...@gmail.com">manht...@gmail.com</a>> wrote: > Dear cp2k users, dear manh, <div class="Ih2E3d"> > My input file for a 38-atom molecule: </div><sigh>... and here we have an example for how to not report problems! </sigh> there is a lot of confusing junk in your input, but on the other hand essential components (coordinates) are missing, so it is not possible to try reproducing your troubles and one has to guess what may be wrong. if you want your problems solve, the first priority should be to make it as easy as possible to help you!! [...] <div class="Ih2E3d"> > &GLOBAL > PRINT_LEVEL HIGH > PROJECT P > RUN_TYPE ENERGY > WALLTIME 285000 > &END GLOBAL </div>hmmm... there are two possibilities of what is happening. 1) your compiler has miscompiled the cp2k executable. the flag that determines, whether localization is required (please note, that there some other flags that implicitly enable localization). 2) you are using print level "high" that will enable many options by default. it is quite likely that one of them requires localization. hence the warning. [...] <div class="Ih2E3d"> > > Actually, I don't understand what the WARNING means. I have tried the > same input with a CO2 molecule, this warning doesn't appear. </div>... and where is the input for that example? does it have the same print level?? > Can you help me? not sure. you don't make it easy... cheers, axel. <div><div></div><div class="Wj3C7c"> > Many thanks, > Manh > > P/S: @ Teo: Thank you very much and see you soon. </div></div></blockquote></div>