Hello again, Some time ago I have post a message to the list about the problem with the SIESTA (built on IBM Power system) running out of luns. The original post is below. In the meantime I have contacted the system administrator, who helped me to identify the problem. Here is his response:
this is an error message from SIESTA itself. You can find it in the source file io.f after a check of all fortran i/o units. The constants min_lun and max_lun are set as 10 and 99 in the version of the code that I have, which means that there can be 89 files simultaneously open. There are two possible solutions: 1. increase max_lun so that you can have more files simultaneously open. However, my guess is that your code opens a file at every step, but never closes it and so it runs out of units after 81 or 82 steps. The preferred solution is therefore 2. to look for the open files and close them at appropriate points in the code. As my fortran skills suck like anything, and the SIESTA source is rather big, I cannot do that myself. Moreover, it really seems like a bug to me, so I am hoping that the developers would be interested in sorting this out... With regards, Bartek ________________________________________ From: Szyja, B.M. [[email protected]] Sent: Monday, March 29, 2010 11:27 AM To: [email protected] Subject: [SIESTA-L] error - No luns available in io_assign Dear SIESTA Team, I am trying to run MD simulations using SIESTA on IBM power architecture. Everything seems ok up to a moment when the jobs crash and I get the following error message: No luns available in io_assign Stopping Program from Node: 0 It usually happens after 70-80 succesful steps of MD. Does anybody have an idea what might be the cause? Bartek
