Re: [Wien] segfault in mixer

2015-11-11 Thread Elias Assmann
On 11/11/2015 03:40 PM, Laurence Marks wrote: > There is some code inside mixer.F which reduces the number of PW's to > only those which are non-zero. With your clmval this is zero, so the > array kzz in setn probably has a size of (3,0) which is zero. A zero > size array will lead to a SIGSEGV, I

Re: [Wien] segfault in mixer

2015-11-11 Thread Elias Assmann
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 On 11/11/2015 04:04 PM, Zhu, Jianxin wrote: > I am curios. How come the value emin becomes so big? It is > automatically set, no. I think I set it when I was calculating a charge density (to get only the “valence” density). When I picked the

Re: [Wien] segfault in mixer

2015-11-11 Thread Zhu, Jianxin
To: A Mailing list for WIEN2k users Subject: Re: [Wien] segfault in mixer On 11/11/2015 03:40 PM, Laurence Marks wrote: > There is some code inside mixer.F which reduces the number of PW's to > only those which are non-zero. With your clmval this is zero, so the > array kzz in setn pro

Re: [Wien] segfault in mixer

2015-11-11 Thread Peter Blaha
Never had such a problem. Anything in case.outputm ? setn has not much to do with the actual clmsum/val file input, except when the number of PW is zero (check out clmval and clmsum and clmsum_old files, if the K-lists are ok.), as this fft array gets allocated with nkknew1 Otherwise more

Re: [Wien] segfault in mixer

2015-11-11 Thread Elias Assmann
On 11/11/2015 02:53 PM, Peter Blaha wrote: > Anything in case.outputm ? No warnings or errors. Apart from the size information I quoted, the only “suspicious” thing is the first line filename of case.inc: case.incup where case.incup is empty. But I checked other calculations and case.incup

Re: [Wien] segfault in mixer

2015-11-11 Thread Laurence Marks
I agree with Peter. A problem with SIGSEGV is that the line it indicates is often not where the problem actually is. My guess would be that there is something wrong with the struct format, and/or you have no PW's. For the later try grep -e PW case.clmval(up/dn) -A10 (change case etc) and see if

[Wien] segfault in mixer

2015-11-11 Thread Elias Assmann
Hi List, In a fairly large calculation (200 atoms) I am running I get a segfault in mixer: $ x mixer forrtl: severe (174): SIGSEGV, segmentation fault occurred Image RoutineLineSource mixer Unknown Unknown Unknown mixer

Re: [Wien] segfault in mixer

2015-11-11 Thread Laurence Marks
Aha! There is some code inside mixer.F which reduces the number of PW's to only those which are non-zero. With your clmval this is zero, so the array kzz in setn probably has a size of (3,0) which is zero. A zero size array will lead to a SIGSEGV, I suspect that ifort has decided that line 27 is