February 2010 Archives by thread

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Starting: Fri Feb 5 20:00:27 UTC 2010
Ending: Fri Feb 26 18:25:16 UTC 2010
Messages: 64

• problem compiling pdbg executable on cray with pathscale   garold
  • [CP2K:2538] problem compiling pdbg executable on cray with pathscale   Laino Teodoro
    • problem compiling pdbg executable on cray with pathscale   garold
• problems with scp-nddo when running in parallel   garold
  • [CP2K:2540] problems with scp-nddo when running in parallel   Laino Teodoro
  • [CP2K:2540] problems with scp-nddo when running in parallel   Laino Teodoro
• possible bug in flexible cell integrator in case of constraints   Csilla Varnai
  • [CP2K:2544] possible bug in flexible cell integrator in case of constraints   Laino Teodoro
• Constraint warning with AMBER PDB file   Lekpa Duukori
  • [CP2K:2545] Constraint warning with AMBER PDB file   Laino Teodoro
    • Constraint warning with AMBER PDB file   yimanu
• Initial guess of the density matrix   Simone Piccinin
  • [CP2K:2546] Initial guess of the density matrix   Jörg Saßmannshausen
  • Initial guess of the density matrix   marci
  • Initial guess of the density matrix   marci
    • Initial guess of the density matrix   Simone Piccinin
      • Initial guess of the density matrix   marci
      • Initial guess of the density matrix   flo
      • Initial guess of the density matrix   Simone Piccinin
• point charges in qmmm   Lekpa Duukori
  • [CP2K:2557] point charges in qmmm   Teodoro Laino
• Ga pseudo   Matt W
  • Ga pseudo   Matthias Krack
    • Ga pseudo   Matt W
• SEGSIGV using LDA+U and lowdin population with the regtest example   Valerio
  • SEGSIGV using LDA+U and lowdin population with the regtest example   Matthias Krack
• QM/MM with isolated QM box   shihao
  • [CP2K:2563] QM/MM with isolated QM box   Laino Teodoro
    • QM/MM with isolated QM box   shihao
    • QM/MM with isolated QM box   shihao
      • QM/MM with isolated QM box   Matt W
      • QM/MM with isolated QM box   shihao
      • [CP2K:2582] Re: QM/MM with isolated QM box   Laino Teodoro
      • QM/MM with isolated QM box   shihao
      • [CP2K:2577] Re: QM/MM with isolated QM box   Laino Teodoro
  • [CP2K:2563] QM/MM with isolated QM box   Pablo Campomanes
• Compiling with gfortran + MKL: Error   Eric Shamay
  • [CP2K:2564] Compiling with gfortran + MKL: Error   Juerg Hutter
• DBCSR error   Ondrej Marsalek
• DBCSR assertion failed   Ondrej Marsalek
  • DBCSR assertion failed   Ondrej Marsalek
    • [CP2K:2571] Re: DBCSR assertion failed   Nagarajan K
      • [CP2K:2572] Re: DBCSR assertion failed   Ondrej Marsalek
  • DBCSR assertion failed   Ondrej Marsalek
• neither PGI nor Intel compiler working?   Ondrej Marsalek
  • neither PGI nor Intel compiler working?   Ondrej Marsalek
• ERROR in fft_radix_operations   Jun
  • ERROR in fft_radix_operations   Jun
  • [CP2K:2581] ERROR in fft_radix_operations   Juerg Hutter
    • ERROR in fft_radix_operations   Jun
• EACH cannot control how often a property file is printed   Jun
  • [CP2K:2588] EACH cannot control how often a property file is printed   Teodoro Laino
    • EACH cannot control how often a property file is printed   Jun
• SCF Convergence   MS Yeom
• Constraint   rupa
  • [CP2K:2591] Constraint   Teodoro Laino
• Multipole decoupler   shihao
  • [CP2K:2593] Multipole decoupler   Laino Teodoro
    • Multipole decoupler   shihao
      • [CP2K:2595] Re: Multipole decoupler   Laino Teodoro
• ERRORL2 in pw_grids:pw_grid_setup_internal processor   Svante
• plain serial compilation fails   Toon Verstraelen
  • [CP2K:2599] plain serial compilation fails   Teodoro Laino
    • [CP2K:2600] plain serial compilation fails   Toon Verstraelen

Last message date: Fri Feb 26 18:25:16 UTC 2010
Archived on: Thu Mar 3 11:47:27 UTC 2022

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