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

Re: [Wien] SOC Error

2019-10-02 Thread Gavin Abo
There have been several fixes and improvements to WIEN2k for spin orbit calculations since version 17.1 as seen in the updates list: http://susi.theochem.tuwien.ac.at/reg_user/updates/ It is likely highly recommended to use the WIEN2k 19.1 as well as apply the fixes described in the mailing

Re: [Wien] SOC Error

2019-10-02 Thread Laurence Marks
I meant *.dayfile (Google autocorrect changed it). _ Professor Laurence Marks "Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi www.numis.northwestern.edu On Wed, Oct 2, 2019, 08:37 Laurence Marks wrote: > You first need to

Re: [Wien] SOC Error

2019-10-02 Thread Laurence Marks
You first need to check the error logs using "cat *.error", and check your *.daytime, :log and other output files. Without additional information nobody can help. _ Professor Laurence Marks "Research is to see what everybody else has seen, and to think what nobody else has thought", Albert