Re: [Wien] Segmentation fault in Supercell Calculation

2015-09-09 Thread Aftab Khan
-boun...@zeus.theochem.tuwien.ac.at> on behalf of Laurence Marks <l-ma...@northwestern.edu> Sent: Tuesday, July 28, 2015 15:36 To: A Mailing list for WIEN2k users Subject: Re: [Wien] Segmentation fault in Supercell CalculationĀ N.B., unless you are a code developer "-C -g" a

Re: [Wien] Segmentation fault in Supercell Calculation

2015-07-28 Thread Laurence Marks
You have what is called a Segmentation Violation which was detected by 4 of the nodes and they called an error handler which stopped the mpi job on all the CPU's. This is normally because you have an error of some sort in your input files, any of case.in0, case.clmsum (and clmup/dn if you are

Re: [Wien] Segmentation fault in Supercell Calculation

2015-07-28 Thread Lan, Wangwei
...@northwestern.edu Sent: Tuesday, July 28, 2015 13:09 To: A Mailing list for WIEN2k users Subject: Re: [Wien] Segmentation fault in Supercell Calculation You have what is called a Segmentation Violation which was detected by 4 of the nodes and they called an error handler which stopped the mpi

Re: [Wien] Segmentation fault in Supercell Calculation

2015-07-28 Thread sikander Azam
list for WIEN2k users *Subject:* Re: [Wien] Segmentation fault in Supercell Calculation You have what is called a Segmentation Violation which was detected by 4 of the nodes and they called an error handler which stopped the mpi job on all the CPU's. This is normally because you have an error

Re: [Wien] Segmentation fault in Supercell Calculation

2015-07-28 Thread Laurence Marks
*Subject:* Re: [Wien] Segmentation fault in Supercell Calculation Does a simple x lapw0 work, i.e. without mpi, for this specific case? If it does then there is probably an error in how you have linked/compiled the mpi versions. Please provide: a) The mpi compiler you used. b) Which type

Re: [Wien] Segmentation fault in Supercell Calculation

2015-07-28 Thread Laurence Marks
:* Re: [Wien] Segmentation fault in Supercell Calculation N.B., unless you are a code developer -C -g are a terrible idea. Remove them, they may easily lead to the code crashing. Replace them by just -O1 On Tue, Jul 28, 2015 at 3:28 PM, Lan, Wangwei wl...@my.fsu.edu wrote: Dear Professor

Re: [Wien] Segmentation fault in Supercell Calculation

2015-07-28 Thread Lan, Wangwei
of Laurence Marks l-ma...@northwestern.edu Sent: Tuesday, July 28, 2015 14:59 To: A Mailing list for WIEN2k users Subject: Re: [Wien] Segmentation fault in Supercell Calculation Your options are probably wrong: a) mpif90 is normally gfortran, the Intel version is mpiifort b) It is easy to use the wrong

Re: [Wien] Segmentation fault in Supercell Calculation

2015-07-28 Thread Laurence Marks
*To:* A Mailing list for WIEN2k users *Subject:* Re: [Wien] Segmentation fault in Supercell Calculation Does a simple x lapw0 work, i.e. without mpi, for this specific case? If it does then there is probably an error in how you have linked/compiled the mpi versions. Please provide: a) The mpi

Re: [Wien] Segmentation fault in Supercell Calculation

2015-07-28 Thread Laurence Marks
28, 2015 14:59 *To:* A Mailing list for WIEN2k users *Subject:* Re: [Wien] Segmentation fault in Supercell Calculation Your options are probably wrong: a) mpif90 is normally gfortran, the Intel version is mpiifort b) It is easy to use the wrong linking with the Intel mkl libraries. Please

Re: [Wien] Segmentation fault in Supercell Calculation

2015-07-28 Thread Lan, Wangwei
...@zeus.theochem.tuwien.ac.at wien-boun...@zeus.theochem.tuwien.ac.at on behalf of Laurence Marks l-ma...@northwestern.edu Sent: Tuesday, July 28, 2015 15:36 To: A Mailing list for WIEN2k users Subject: Re: [Wien] Segmentation fault in Supercell Calculation N.B., unless you are a code developer -C -g are a terrible idea