Hi every body, I have been trying to install the code "espresso-4.0.5" on IBM pSeries 575, a clustered SMP (Symmetric Multiprocessing) system. and I used the special make.sys which is matched with our system and then ?make pwall? was successful but now I'm getting the following error trying to run the examples. I will attach "make.sys" and "environment_variables" to this mail. Do you have any idea what is going wrong?
Best Regards, Leila Salimi. Isfahan University of Technology, Isfahan, Iran. ?from ewald : error # ? ? ? ? 1 > ? ? ?optimal alpha not found running the scf calculation...STOP 2 Error condition encountered during test: exit status = 2 Aborting ??running the geometry relaxation for CO...STOP 2 Error condition encountered during test: exit status = 2 Aborting -------------- next part -------------- A non-text attachment was scrubbed... Name: make.sys Type: application/octet-stream Size: 4805 bytes Desc: not available Url : http://www.democritos.it/pipermail/pw_forum/attachments/20090708/bb7764cf/attachment.obj -------------- next part -------------- A non-text attachment was scrubbed... Name: environment_variables Type: application/octet-stream Size: 1560 bytes Desc: not available Url : http://www.democritos.it/pipermail/pw_forum/attachments/20090708/bb7764cf/attachment-0001.obj
