Re: [QE-users] GIPAW Segmentation Fault

2018-09-06 Thread Ben Comer
Thanks for the input, removing that flag did not fix the problem unfortunately. I was using those flags because I had just copied an install script from our cluster's support staff. However, I was able to get everything working by compiling with gcc (though this may not be optimal). I believe

Re: [QE-users] GIPAW Segmentation Fault

2018-08-09 Thread Davide Ceresoli
Dear Ben, is your mpif90 using the intel compiler or gfortran? why are you linking libmkl_gf_lp64 ? that is specific for gfortran and it might be reason of the crashes, when using the intel compiler. Best wishes, Davide On 08/08/2018 06:08 PM, Ben Comer wrote: Davide, I am using the

Re: [QE-users] GIPAW Segmentation Fault

2018-08-08 Thread Ben Comer
Davide, I am using the intel 17.0 compiler with mkl 11.3. Adding the suggested line to the bottom of my make.inc file did not change the error unfortunately. I've included a dropbox link containing my build script and make.inc. I'm using the QE-GIPAW 6.2.2 release (QE and GIPAW bundled).

Re: [QE-users] GIPAW Segmentation Fault

2018-08-07 Thread Holzwarth, Natalie
I am not sure what is the output for that particular line, but the last part of the output looks as given below.For different instances of the run, the particular iteration changes, but the boxed error message returned by phonon.f90 is always the same.We have seen the error in both 6.2.1

Re: [QE-users] GIPAW Segmentation Fault

2018-08-07 Thread Pietro Delugas
hello what is the output of addr2line -p -e ph.x 004BE229 and what version of ph are you using ? On 07/08/2018 17:06, Holzwarth, Natalie wrote: This segmentation fault issue has also appeared for us in another QE code.    Perhaps it is a totally unrelated problem which we find

Re: [QE-users] GIPAW Segmentation Fault

2018-08-07 Thread Holzwarth, Natalie
This segmentation fault issue has also appeared for us in another QE code. Perhaps it is a totally unrelated problem which we find related to the openmpi package compiled with intel-3.1.1-2018 and intel-3.1.0-2018. In our case, compiling with openmpi package compiled with intel-2.1.0-2018

Re: [QE-users] GIPAW Segmentation Fault

2018-08-07 Thread Davide Ceresoli
Dear Ben, I'm afraid it's a problem with MKL-blas ZDOTC, which must return a complex(dp) result. Very strange, because if you grep the source code, we have declared it: complex(dp), external::zdtoc Can you tell us your compiler and MKL version? can you add DFLAGS+=-Dzdotc=zdotc_wrapper to

[QE-users] GIPAW Segmentation Fault

2018-08-06 Thread Ben Comer
Hello, I've been trying to do g factor calculations in GIPAW working for a few days now. I keep getting a segmentation fault (below) no matter how I compile it on our cluster. Does anyone have a good idea of what might be causing this? forrtl: severe (174): SIGSEGV, segmentation fault