ABINIT Discussion Forums
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Proposed code modifications
104 topics • Page 1 of 5 • 1, 2, 3, 4, 5
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- Marking answers for solved issues
by pouillon » Fri Aug 09, 2013 12:56 pm - 0 Replies
- 37274 Views
- Last post by pouillon
Fri Aug 09, 2013 12:56 pm
- Marking answers for solved issues
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- Unresolved bug in fft r2c and c2r transforms with MKL?
by frodo » Wed Mar 06, 2019 10:47 pm - 0 Replies
- 20 Views
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Wed Mar 06, 2019 10:47 pm
- Unresolved bug in fft r2c and c2r transforms with MKL?
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- Possible bug in 42_libpaw/m_libpaw_mpi.F90
by cartoixa » Sun Oct 07, 2018 10:45 pm
- 7 Replies
- 1565 Views
- Last post by cartoixa
Fri Nov 16, 2018 6:27 pm
- Possible bug in 42_libpaw/m_libpaw_mpi.F90
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- Using MAGMA GPU library
by evgeny.s » Thu May 31, 2018 4:29 pm - 0 Replies
- 1069 Views
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Thu May 31, 2018 4:29 pm
- Using MAGMA GPU library
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- Adding user defined external potential
by jbniser » Wed Apr 25, 2018 2:36 pm - 2 Replies
- 669 Views
- Last post by jbniser
Fri Apr 27, 2018 2:13 pm
- Adding user defined external potential
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- BUG MPI always crashes
by recohen » Wed Aug 16, 2017 3:37 pm
- 6 Replies
- 1055 Views
- Last post by recohen
Tue Jan 02, 2018 6:49 pm
- BUG MPI always crashes
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- Use of COMPLEX data and use of BLAS
by jzwanzig » Mon Dec 04, 2017 5:49 pm - 1 Replies
- 517 Views
- Last post by ebousquet
Wed Dec 20, 2017 12:03 pm
- Use of COMPLEX data and use of BLAS
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- use of K and KPRIME in getghc
by jzwanzig » Wed Dec 06, 2017 4:23 pm - 0 Replies
- 427 Views
- Last post by jzwanzig
Wed Dec 06, 2017 4:23 pm
- use of K and KPRIME in getghc
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- polarization including spin orbit
by abinit_champion » Tue Nov 28, 2017 7:58 am - 0 Replies
- 438 Views
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Tue Nov 28, 2017 7:58 am
- polarization including spin orbit
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- efield extremely slow
by recohen » Tue Nov 21, 2017 6:12 pm - 1 Replies
- 543 Views
- Last post by recohen
Wed Nov 22, 2017 6:04 pm
- efield extremely slow
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- a BUG corrected, make_grad_berry.F90
by recohen » Wed Nov 15, 2017 10:09 am
- 0 Replies
- 461 Views
- Last post by recohen
Wed Nov 15, 2017 10:09 am
- a BUG corrected, make_grad_berry.F90
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- BUG abinit crashes for paral_kgb=1
by recohen » Fri Nov 10, 2017 12:30 pm
- 2 Replies
- 657 Views
- Last post by recohen
Sun Nov 12, 2017 11:15 am
- BUG abinit crashes for paral_kgb=1
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- Co>Operation System Upgrade from 3.1.7 to 3.2.5.2
by praj2712 » Mon Aug 07, 2017 4:47 pm - 0 Replies
- 399 Views
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Mon Aug 07, 2017 4:47 pm
- Co>Operation System Upgrade from 3.1.7 to 3.2.5.2
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- Berry's phase array bounds errors
by recohen » Sun Jun 11, 2017 10:03 pm
- 1 Replies
- 479 Views
- Last post by recohen
Sun Jun 11, 2017 10:18 pm
- Berry's phase array bounds errors
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- opernlb_ylm subroutine Inefficient
by Dominic » Wed Jan 11, 2017 12:21 pm - 7 Replies
- 1533 Views
- Last post by Dominic
Fri Feb 17, 2017 6:56 pm
- opernlb_ylm subroutine Inefficient
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- BUG in Abinit 8.0.8 in abi_xheev.f90 routine
by Dominic » Fri Feb 03, 2017 10:09 am - 2 Replies
- 812 Views
- Last post by Dominic
Fri Feb 17, 2017 6:53 pm
- BUG in Abinit 8.0.8 in abi_xheev.f90 routine
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- Update: GPU Single Precision Implementation - 5x Faster! :)
by Dominic » Thu Jan 12, 2017 6:53 am
- 0 Replies
- 729 Views
- Last post by Dominic
Thu Jan 12, 2017 6:53 am
- Update: GPU Single Precision Implementation - 5x Faster! :)
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- POWER8 Compatibility: Preprocessor- "unsigned int" duplicate
by jlost » Fri Sep 09, 2016 3:19 pm - 1 Replies
- 4482 Views
- Last post by jlost
Fri Sep 09, 2016 4:17 pm
- POWER8 Compatibility: Preprocessor- "unsigned int" duplicate
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- Should EIG.nc contain occupations?
by gabriel.antonius » Tue Sep 06, 2016 7:59 pm - 0 Replies
- 1034 Views
- Last post by gabriel.antonius
Tue Sep 06, 2016 7:59 pm
- Should EIG.nc contain occupations?
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- Implementing new correlation functional
by teepanis » Thu Aug 18, 2016 4:32 am - 1 Replies
- 1134 Views
- Last post by gonze
Fri Aug 19, 2016 9:40 pm
- Implementing new correlation functional
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- Problems in spin-polarized ABINIT/BoltzTraP calculations
by goodwill » Tue Aug 09, 2016 2:52 am - 0 Replies
- 1217 Views
- Last post by goodwill
Tue Aug 09, 2016 2:52 am
- Problems in spin-polarized ABINIT/BoltzTraP calculations
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- Proposed Bug Comments [SOLVED]
by NPike » Wed May 18, 2016 1:27 pm - 1 Replies
- 5049 Views
- Last post by gmatteo
Wed May 25, 2016 6:19 pm
- Proposed Bug Comments [SOLVED]
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- DOS bug and inaccuracies
by Emile » Wed Jun 17, 2015 11:05 am
- 0 Replies
- 3311 Views
- Last post by Emile
Wed Jun 17, 2015 11:05 am
- DOS bug and inaccuracies
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- bug fix help in paral_kgb case [SOLVED]
by jzwanzig » Thu Jun 04, 2015 8:09 pm - 2 Replies
- 2736 Views
- Last post by jzwanzig
Wed Jun 10, 2015 5:49 pm
- bug fix help in paral_kgb case [SOLVED]
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- 'pmat' in optic.F90 has incorrect rank? [SOLVED]
by raul_l » Fri May 15, 2015 11:34 pm - 1 Replies
- 2026 Views
- Last post by torrent
Mon May 18, 2015 3:47 pm
- 'pmat' in optic.F90 has incorrect rank? [SOLVED]
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