[SIESTA-L] NonCollinearSpin error

Dear all,when I want to run attached fdf , code stopped with this error: Computing bands... Program received signal SIGSEGV: Segmentation fault - invalid memory reference. But when i delete this line:  NonCollinearSpin   Tfrom the fdf file, my run  finished wthout any error. what is the mean of

Re: [SIESTA-L] compilation error for siesta trunk 572

With intel compilers you should probably not compile with so high optimizations. First try and lower the optimization (-O2 for instance). 2016-10-18 15:28 GMT+02:00 T. Liu : > Dear Nick, > Thanks for your help. > > I compiled it again without "~", It works! > Instead, I met an

Re: [SIESTA-L] compilation error for siesta trunk 572

Dear Nick, Thanks for your help. I compiled it again without "~", It works! Instead, I met an old error message which I have already posted before, but haven't got an answer. There is no DM file in the folder. the bottom of output file Setting up quadratic distribution... ExtMesh (bp) on 0 =

Re: [SIESTA-L] compilation error for siesta trunk 572

>From the output of siesta, it is compiled in parallel, (it says PARALLEL). It may be that you are not using the same mpirun as that shipped with mpifc? Maybe you should be using mpiifort? These are long shots... but... Secondly, it may be a problem with the scheduler and the "~" in the path.

Re: [SIESTA-L] compilation error for siesta trunk 572

Dear Nick, Thanks for your reply. it is mpirun -ppn $mpi_tasks_per_node -np $np $application $options translated as mpirun -ppn 16 -np 16 /home/tl439/~siesta-maint/siesta/trunk/Obj/siesta < h2o.relax.fdf > h2o.relax.out I also tried mpirun -np 16

Re: [SIESTA-L] compilation error for siesta trunk 572

Please show us your execution command line. 2016-10-18 14:08 GMT+02:00 T. Liu : > Dear Nick, > > I followed your suggestion, and there is no error for the compilation. > But I only can run a serial mode on a parallel version. > > here is a piece of the top of output file > > > >

Re: [SIESTA-L] compilation error for siesta trunk 572

Dear Nick, I followed your suggestion, and there is no error for the compilation. But I only can run a serial mode on a parallel version. here is a piece of the top of output file *** ***