Re: [SIESTA-L] vim syntax highlighting

[Nick Papior]

I am unaware of any implementation of this.
I think this would be appreciated by the community if you wish to share.

2016-04-06 15:17 GMT+02:00 Arthur France-Lanord :
> Dear Siesta users,
>
> Any chance someone has already edited (and is willing to share) a vim syntax 
> file for fdf-style script? If not, I’ll probably write one and share it here.
>
> Arthur



-- 
Kind regards Nick

[SIESTA-L] vim syntax highlighting

[Arthur France-Lanord]

Dear Siesta users, 

Any chance someone has already edited (and is willing to share) a vim syntax 
file for fdf-style script? If not, I’ll probably write one and share it here. 

Arthur

Re: [SIESTA-L] [***Posible SPAM***]2

[Nick Papior]

Gnu 4.8.5 is compliant with siesta and you should have no problems
using that compiler.

Regarding the error message:
Have you tried some of the test systems to ensure that you do not have
a buggy installation?

2016-04-06 13:50 GMT+02:00 Suman deep :
> Sir i have used compiler version 4.8.5 for siesta installation, but it is
> still not working
> and using intel fortran compiler i was able to install sieata-4.0b-485, but
> when i tried to run a simple program it just stopped giving error as;
>
> Failure to converge standard eigenproblem
> Stopping Program from Node:0
> abort: Fortran Abort Called
>
>
> Please suggest some solution.



-- 
Kind regards Nick

[SIESTA-L] [***Posible SPAM***]2

[Suman deep]

Sir i have used compiler version 4.8.5 for siesta installation, but it is
still not working
and using intel fortran compiler i was able to install sieata-4.0b-485, but
when i tried to run a simple program it just stopped giving error as;

Failure to converge standard eigenproblem
Stopping Program from Node:0
abort: Fortran Abort Called


Please suggest some solution.

Re: [SIESTA-L] error while siesta-4.0b-485 installation....

[Alberto Garcia]

Hi,

Actually, a full F2003 compiler is not necessary for this. Only the 
"allocatable array extensions"  (TR 15581) feature is needed. All mainstream 
compilers have implemented this as an extension of F95 for several years now.

So you seem to be using a very old compiler. If your budget is tight you can 
get the free Gfortran compiler.

  Alberto

On 06 Apr 2016, at 09:33, Nick Papior  wrote:

> Please try and update your compiler.
> You should use a 2003 compliant compiler.
> 
> 2016-04-06 7:30 GMT+02:00 Suman deep :
>> sir,
>> i m getting the following error while installing siesta-4.0b-485 on hpcc,
>> dept. of physics, panjab university,...
>> please tell me the possible cause of error
>> 
>> 
>> 
>> 
>> f95 -c -g -O2 -I../MPI   /home/sumandeepkaur/siesta-4.
>> 0b-485/Src/interpolation.f90
>> In file /home/sumandeepkaur/siesta-4.0b-485/Src/interpolation.f90:159
>> 
>>  real(dp),allocatable:: x(:)  ! mesh points
>> 1
>> Error: Attribute at (1) is not allowed in a TYPE definition
>> In file /home/sumandeepkaur/siesta-4.0b-485/Src/interpolation.f90:160
>> 
>>  real(dp),allocatable:: y(:)  ! function value at mesh points
>> 1
>> Error: Attribute at (1) is not allowed in a TYPE definition
>> In file /home/sumandeepkaur/siesta-4.0b-485/Src/interpolation.f90:161
>> 
>>  real(dp),allocatable:: d2ydx2(:) ! 2nd derivative at mesh points
>> 1
>> Error: Attribute at (1) is not allowed in a TYPE definition
>> In file /home/sumandeepkaur/siesta-4.0b-485/Src/interpolation.f90:286
>> 
>> allocate(dat%x(n), dat%y(n), dat%d2ydx2(n))
>> 1
>> Error: 'x' at (1) is not a member of the 'spline_t' structure
>> In file /home/sumandeepkaur/siesta-4.0b-485/Src/interpolation.f90:298
>> 
>> dat%x = x
>>1
>> Error: 'x' at (1) is not a member of the 'spline_t' structure
>> In file /home/sumandeepkaur/siesta-4.0b-485/Src/interpolation.f90:299
>> 
>> dat%y = y
>>1
>> Error: 'y' at (1) is not a member of the 'spline_t' structure
>> In file /home/sumandeepkaur/siesta-4.0b-485/Src/interpolation.f90:300
>> 
>> dat%d2ydx2 = ypp
>> 1
>> Error: 'd2ydx2' at (1) is not a member of the 'spline_t' structure
>> In file /home/sumandeepkaur/siesta-4.0b-485/Src/interpolation.f90:320
>> 
>> call find_interval( dat, dat%x, x, kl, kh, xl, xh )
>> 1
>> Error: 'x' at (1) is not a member of the 'spline_t' structure
>> In file /home/sumandeepkaur/siesta-4.0b-485/Src/interpolation.f90:323
>> 
>> call interpolate_interval( xl, xh, dat%y(kl), dat%y(kh), &
>>   1
>> Error: 'y' at (1) is not a member of the 'spline_t' structure
>> In file /home/sumandeepkaur/siesta-4.0b-485/Src/interpolation.f90:481
>> 
>> d2ydx2 = dat%d2ydx2
>>  1
>> Error: 'd2ydx2' at (1) is not a member of the 'spline_t' structure
>> In file /home/sumandeepkaur/siesta-4.0b-485/Src/interpolation.f90:635
>> 
>> if (allocated(dat%x)) then
>>  1
>> Error: 'x' at (1) is not a member of the 'spline_t' structure
>> In file /home/sumandeepkaur/siesta-4.0b-485/Src/interpolation.f90:636
>> 
>>   deallocate(dat%x, dat%y, dat%d2ydx2)
>>  1
>> Error: 'x' at (1) is not a member of the 'spline_t' structure
>> In file /home/sumandeepkaur/siesta-4.0b-485/Src/interpolation.f90:637
>> 
>> endif
>>  1
>> Error: Expecting END SUBROUTINE statement at (1)
>> make[1]: *** [interpolation.o] Error 1
>> make[1]: Leaving directory
>> `/home/sumandeepkaur/siesta-4.0b-485/Obj/SiestaXC'
>> make: *** [libSiestaXC.a] Error 2
> 
> 
> 
> -- 
> Kind regards Nick

Re: [SIESTA-L] error while siesta-4.0b-485 installation....

[Nick Papior]

Please try and update your compiler.
You should use a 2003 compliant compiler.

2016-04-06 7:30 GMT+02:00 Suman deep :
> sir,
> i m getting the following error while installing siesta-4.0b-485 on hpcc,
> dept. of physics, panjab university,...
> please tell me the possible cause of error
>
>
>
>
> f95 -c -g -O2 -I../MPI   /home/sumandeepkaur/siesta-4.
> 0b-485/Src/interpolation.f90
>  In file /home/sumandeepkaur/siesta-4.0b-485/Src/interpolation.f90:159
>
>   real(dp),allocatable:: x(:)  ! mesh points
>  1
> Error: Attribute at (1) is not allowed in a TYPE definition
>  In file /home/sumandeepkaur/siesta-4.0b-485/Src/interpolation.f90:160
>
>   real(dp),allocatable:: y(:)  ! function value at mesh points
>  1
> Error: Attribute at (1) is not allowed in a TYPE definition
>  In file /home/sumandeepkaur/siesta-4.0b-485/Src/interpolation.f90:161
>
>   real(dp),allocatable:: d2ydx2(:) ! 2nd derivative at mesh points
>  1
> Error: Attribute at (1) is not allowed in a TYPE definition
>  In file /home/sumandeepkaur/siesta-4.0b-485/Src/interpolation.f90:286
>
> allocate(dat%x(n), dat%y(n), dat%d2ydx2(n))
>  1
> Error: 'x' at (1) is not a member of the 'spline_t' structure
>  In file /home/sumandeepkaur/siesta-4.0b-485/Src/interpolation.f90:298
>
> dat%x = x
> 1
> Error: 'x' at (1) is not a member of the 'spline_t' structure
>  In file /home/sumandeepkaur/siesta-4.0b-485/Src/interpolation.f90:299
>
> dat%y = y
> 1
> Error: 'y' at (1) is not a member of the 'spline_t' structure
>  In file /home/sumandeepkaur/siesta-4.0b-485/Src/interpolation.f90:300
>
> dat%d2ydx2 = ypp
>  1
> Error: 'd2ydx2' at (1) is not a member of the 'spline_t' structure
>  In file /home/sumandeepkaur/siesta-4.0b-485/Src/interpolation.f90:320
>
> call find_interval( dat, dat%x, x, kl, kh, xl, xh )
>  1
> Error: 'x' at (1) is not a member of the 'spline_t' structure
>  In file /home/sumandeepkaur/siesta-4.0b-485/Src/interpolation.f90:323
>
> call interpolate_interval( xl, xh, dat%y(kl), dat%y(kh), &
>1
> Error: 'y' at (1) is not a member of the 'spline_t' structure
>  In file /home/sumandeepkaur/siesta-4.0b-485/Src/interpolation.f90:481
>
> d2ydx2 = dat%d2ydx2
>   1
> Error: 'd2ydx2' at (1) is not a member of the 'spline_t' structure
>  In file /home/sumandeepkaur/siesta-4.0b-485/Src/interpolation.f90:635
>
> if (allocated(dat%x)) then
>   1
> Error: 'x' at (1) is not a member of the 'spline_t' structure
>  In file /home/sumandeepkaur/siesta-4.0b-485/Src/interpolation.f90:636
>
>deallocate(dat%x, dat%y, dat%d2ydx2)
>   1
> Error: 'x' at (1) is not a member of the 'spline_t' structure
>  In file /home/sumandeepkaur/siesta-4.0b-485/Src/interpolation.f90:637
>
> endif
>   1
> Error: Expecting END SUBROUTINE statement at (1)
> make[1]: *** [interpolation.o] Error 1
> make[1]: Leaving directory
> `/home/sumandeepkaur/siesta-4.0b-485/Obj/SiestaXC'
> make: *** [libSiestaXC.a] Error 2



-- 
Kind regards Nick