ABINIT Discussion Forums

Hello,

As a newbie I was ready to meet troubles while starting usage of the ABINIT, but not like that...

I run UBUNTU 18.04, ABINIT 8.10.3 (downloaded from abinit.org), compiler - GNU Fortran (Ubuntu 9.2.1-17ubuntu1~18.04.1) 9.2.1 20191102. Below you see part of output (with the command line and the error messages) for /src/78_effpot/m_polynomial_coeff.F90.

===============================================================
gfortran -m64 -DHAVE_CONFIG_H -I. -I../../../src/78_effpot -I../.. -I../../src/77_ddb -I../../../src/77_ddb -I../../src/32_util -I../../../src/32_util -I../../src/44_abitools -I../../../src/44_abitools -I../../src/27_toolbox_oop -I../../../src/27_toolbox_oop -I../../src/44_abitypes_defs -I../../../src/44_abitypes_defs -I../../src/72_response -I../../../src/72_response -I../../src/16_hideleave -I../../../src/16_hideleave -I../../src/42_parser -I../../../src/42_parser -I../../src/55_abiutil -I../../../src/55_abiutil -I../../src/41_geometry -I../../../src/41_geometry -I../../src/45_geomoptim -I../../../src/45_geomoptim -I../../src/12_hide_mpi -I../../../src/12_hide_mpi -I../../src/10_defs -I../../../src/10_defs -I../../src/14_hidewrite -I../../../src/14_hidewrite -I../../src/57_iovars -I../../../src/57_iovars -I../../src/28_numeric_noabirule -I../../../src/28_numeric_noabirule -I../../src/incs -I../../../src/incs -I/home/ovb/abinit-8.10.3/LAMBDA/fallbacks/exports/include -ffree-form -J/home/ovb/abinit-8.10.3/LAMBDA/src/mods -O2 -mtune=native -march=native -m64 -g -ffree-line-length-none -fopenmp -c -o m_polynomial_coeff.o ../../../src/78_effpot/m_polynomial_coeff.F90
../../../src/78_effpot/m_polynomial_coeff.F9067:

2800 | do icoeff1=icoeff,ncoeff+nstr
| 2
......
2883 | & index_coeff,list_combination,icoeff1,max_power_strain,&
| 1
Error: Variable ‘icoeff1’ at (1) not definable inside loop beginning at (2) as INTENT(INOUT) argument to subroutine ‘computecombinationfromlist’
../../../src/78_effpot/m_polynomial_coeff.F9026:

2553 | do icoeff1=icoeff,ncoeff+nstr
| 2
......
2643 | & icoeff1,icoeff_tot,natom,ncoeff,nstr,ncoeff_out,nrpt,nsym,power_disp+1,&
| 1
Error: Variable ‘icoeff1’ at (1) not definable inside loop beginning at (2) as INTENT(INOUT) argument to subroutine ‘computenorder’
Makefile recipe for target 'm_polynomial_coeff.o' failed
make[3]: *** [m_polynomial_coeff.o] Error 1
==========================================================================

It is very strange as far as so many people work with this code but looking through the source I have to "agree with compiler": in both cases the variable ‘icoeff1’ is a "do-variable" but supposed to be changed by subroutine. If so the loop statement can be easily modified to avoid this error, let say like
----------------------
icoeff1 = icoeff; do while ( icoeff1 <= ncoeff+nstr )
....
icoeff1 = icoeff1+1; end do
----------------------

Anyway, is anything wrong with 'my compiler'?

Thank you in advance,
Oleg Boev

Hi Oleg,
Version 8.10.3 has not been tested with gnu gfortran 9.2.0 on our testfarm.
I just tested it: it's OK....
But, on a ubuntu 18.04 with the gfortran version 9.2.1 of ubuntu, the compilation fails as you observed...
With the same configuration, a development version 8.11.13 of ABINIT passes the compilation under ubuntu with a 9.2.1....
So, I guess the problem with icoeff1 has been fixed....

I don't know the difference between the official version of GNU 9.2 and version 9.2.1 in ubuntu 18.04

Hi Jean-Michel,
Thank you for your reply. Well, I think, it has been fixed.
Regards,
Oleg

I have this issue as well. Could someone please explain the fix, and/or what the problem actually was? I'd be happy to work off a different version, or apply any workarounds that might be necessary.

Hi AD8DF,

I have the same issue under arch linux. I was able to compile abinit-8.10.2 after downgrading gcc, gcc-fortran and gcc-libs to version 8.3.0-1.

Hopefully the new version will be released soon.

Regards,
Thomas

I'm having the same problem. I running Clear linux with gcc 9.3. Is there any hope for me to get it working any soon?

Thanks for the help.

Dear Sir,
I am a new user of ABINIT. I am using ubuntu 18.04.3. I need a recipe to compile ABINIT 8.10.3 on ubuntu -8.10.3. I followed instructions given in this video "http://www.youtube.com/watch?v=DppLQ-KQA68".but it is not working in my system.
Thanks in advance.
==============================================================================
From:
Mr. Rashid Khan

Hello,
I have the same problem when trying to compile abinit-8.10.3 with gcc-9.3.0 within cygwin. What would you recommend to do ?
How can I get abinit version 8.11.13 ?
Or should I rather go for version 9.0.3 ?
Or should I replace the abinit-8.10.3/src/78_effpot/m_polynomial_coeff.F90 file in my computer by
https://raw.githubusercontent.com/abini ... _coeff.F90 ?

Many thanks for your help - and to the developers for this great package which enables us to work even during 'covid19 confinement'.
Kind regards
Philippe