[Wien] Intel MPI, memory leaks and incompatibility

2019-10-03 Thread Laurence Marks
For general information. I confirmed a little while ago that the Intel 2019 Update 5 mpi library solves a memory leak issue somewhere in Wien2k. One caveat. The library is free, and will install on older machines which do not have Real Time Clock (RTC) instructions. However, it does not work on

Re: [Wien] SOC Error

2019-10-03 Thread Peter Blaha
From what you tell us it happens only from time to time (sometimes it runs through ?) and most importantly, this case.energysoup_21 file is really not present, although the corresponding outputso_21 file seems to be complete and with proper time stamp ??? This seems to be a NFS problem due to

Re: [Wien] SOC Error

2019-10-03 Thread Paresh Rout
And there is also a std.err file which gives a message as LAPWSO END LAPWSO END LAPWSO END LAPWSO END LAPWSO END LAPWSO END LAPWSO END LAPWSO END cat: case.normsoup_21: No such file or directory cat: case.normsodn_21: No such file or directory FERMI - Error Paresh Chandra Rout Postdoctoral

Re: [Wien] SOC Error

2019-10-03 Thread Paresh Rout
Hi, This is the message found in the std.out file The job 11236734 is running on nid0[1035-1038] cleaning /lustre/project/k1361/Projects_Paresh/.New_projects in cycle 2ETEST: .37772516 CTEST: .038764 > stop error Paresh Paresh Chandra Rout Postdoctoral Researcher King Abdullah

Re: [Wien] SOC Error

2019-10-03 Thread Gavin Abo
Is there any traceback in the standard output to the terminal or to the standard output file (if using a queue system)? In other words a message similar to the "forrtl: severe (24): end-of-file during read, unit 30" in the post at [

Re: [Wien] SOC Error

2019-10-03 Thread Paresh Rout
Dear Prof. Marks: Thank you for your reply. Unfortunately, I did not receive your email but found your reply in wien archive. After doing cat *error. I found the following error message 'LAPW2' - can't open unit: 30 'LAPW2' -filename: Lu2NiIrO6.energysoup_21 ** testerror: Error in

Re: [Wien] SOC Error

2019-10-03 Thread Lyudmila Dobysheva
On 10/2/2019 7:26 AM, Paresh Rout wrote: between SCF calculation (around 9th or 10th cycle) as below. >   lapw2 -up -p   -c -so       (13:21:14) running LAPW2 in parallel mode **  LAPW2 crashed! Look in the file case.scf2_XX, there can be some info like QTL-B VALUE, :WARN at the end. It is