[Pw_forum] DOS Units

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[Pw_forum] acml - mkl

On May 15, 2008, at 19:36 , Eduardo Ariel Menendez Proupin wrote: > I am not sure if configure detects the acml library. not when the chosen compiler is ifort Paolo --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39

[Pw_forum] bug report in PWCOND

Dear all: In CVS_080208 and previous version, File: PWCOND/local.f90 Line 410: - INTEGER :: nrx, nry, fftxy(-nrx:nrx, -nrx:nry), & number, n1, n2 - should be --

[Pw_forum] print time

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[Pw_forum] print time

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[Pw_forum] print time

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[Pw_forum] Starting magnetization

Hi Axel, thank you for information. Can I change this value and recompile the program? Sincerely, Alvaro --- Axel Kohlmeyer escreveu: > On Thu, 15 May 2008, ?lvaro Alves wrote: > > AA> Hello everyone. Is there a limit to the > definition of > > hello alvaro, > > AA> different at

[Pw_forum] Starting magnetization

Hello everyone. Is there a limit to the definition of different atomic species for the same type atomic. For example, N1 N2, N2, N4. I need this procedure for several atomic type (N, O, C). Sincerely, Alvaro Abra sua conta no Yahoo! Mail, o ?nico sem limite de espa?o par

[Pw_forum] print time

Rudra Banerjee wrote: > right, but external file "scnds" is what sausing the trouble it is not an external file but an external routine. scnds() returns a real (double poreciosion) variable containing elapsed time in seconds. In Q-E scnds() is a C routine, because it is hard to find a portable

[Pw_forum] Starting magnetization

On Thu, 15 May 2008, ?lvaro Alves wrote: AA> Hi Axel, thank you for information. Can I change this AA> value and recompile the program? if you change the tiniest bit of the Q-E source code, your computer will immediately initiate its secret self-destruct procedure upon the first execution of an e

[Pw_forum] print time

Rudra Banerjee wrote: > i am sorry...its "print_clock_pw.f90"...actually i tried...but given > that it depends on so many module, specially mo_global, i failed to make > it run for my own code what you need is "Modules/clocks.f90", that depends on very few variables from very few external modul

[Pw_forum] Starting magnetization

On Thu, 15 May 2008, ?lvaro Alves wrote: AA> Hello everyone. Is there a limit to the definition of hello alvaro, AA> different atomic species for the same type atomic. For AA> example, N1 N2, N2, N4. I need this procedure for AA> several atomic type (N, O, C). yes. the parameter ntypx determins

[Pw_forum] print time

Rudra Banerjee wrote: > Dear developers, >can you plz provide me a stand alone version of print_time_pw ? there is no such thing as "print_time_pw": $ grep -i print_time_pw */*f90 $ Paolo -- Paolo Giannozzi, Democritos and University of Udine, Italy

[Pw_forum] acml - mkl

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