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 need to try 4.1-b1,
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 `Fo
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 old error message w
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 =
>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.
Coul
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 /home/tl439/~siesta-maint/siesta/trunk/Obj/si
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
>
>
>
>
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
***
***
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
arch.make
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 of the
> # GNU G
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 of the
# GNU General Public License: see COPYING in the top directory
# or http://www.gnu.org/copyleft/
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