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

Add ", save" to the list of attributes of the variable "spin" in the source. This is fixed in a later revision and will be available in the 4.1-b2 release. 2016-10-25 16:07 GMT+02:00 T. Liu : > Dear Nick, > > Thanks. > I tried, but it gave me same error message. > > I think I

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

Dear Nick, Thanks. I tried, but it gave me same error message. I think I need to try 4.1-b1, So I used the same arch file to compile 4.1-b1, but met the following error message. Could you please suggest any solution? I searched, but didn't find any useful information. mpifc -c -g -O3

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 *** ***

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

Dera Nick, Thanks for your help. It works by adding .c and using latest SCALAPCK. Regards, Tao On 2016-10-14 11:40, Nick Papior wrote: Try add .c to the SUFFIXES list. 2016-10-14 12:32 GMT+02:00 T. Liu : Dear all, I can compile 4.0 with the following arch.make

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

Try add .c to the SUFFIXES list. 2016-10-14 12:32 GMT+02:00 T. Liu : > Dear all, > > I can compile 4.0 with the following arch.make > > arch.make > > # > # Copyright (C) 1996-2016 The SIESTA group > # This file is distributed under the terms