Re: [Wien] overflow on array size calculation

2017-05-20 Thread Laurence Marks
Sorry, but it is almost certainly nothing to do with ulimit since that is done in software now (has been for some years). It is hard to say without other information what is going on. Is this a large calculation? What does "grep ifft1 *.output2* " give you? Is this mpi or just k-point parallel? I

Re: [Wien] overflow on array size calculation

2017-05-20 Thread Dr. K. C. Bhamu
Hello Rajneesh, Check you bashrc file and see whether you defined: ulimit -s unlimited if you do not find it copy and past at the bottom of bashrc file. On Sat, May 20, 2017 at 5:13 PM, Rajneesh Chaurasiya wrote: > Dear Wien2k users, > > I have upgraded wien2k version from 13 to 16 success

[Wien] overflow on array size calculation

2017-05-20 Thread Rajneesh Chaurasiya
Dear Wien2k users, I have upgraded wien2k version from 13 to 16 successfully but when i do the A2BBO6 (double perovskite) calculation then during the execution of scf error looks like forrtl: severe (179): Cannot allocate array - overflow on array size calculation. Image PC