[Pw_forum] ??? what's the meaning of error in compiler of sun
针叶 朱
coldwind1978 at yahoo.com.cn
Tue May 20 13:46:05 CEST 2008
Dear user:
Thank you give some suggestions about compilation in solaris 9.0. The condition of my machine is as following : Sun fire 4800 and solaris sparc.I have install Sunstudio 12 in my machine. making ./configure is well done. When make pw, the errors appears. Please tell me how to modify my system. which development packages should be installed in my system to make successfully?
Regards
zhuzhenye
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Today's Topics:
1. DOS Units (Vidur Parkash)
2. Re: DOS Units (lan haiping)
3. polarization calculation in ferroelectrics (hania djani-ait aissa)
4. Re: bug report in PWCOND (Dal Corso Andrea)
5. Re: acml - mkl (Lorenzo Paulatto)
6. Re: Starting magnetization (Lorenzo Paulatto)
7. Re: what's the meaning of error in compiler of sun solaris?
(Lorenzo Paulatto)
8. ??? what's the meaning of error in compiler of sun solaris? (?? ?)
9. Re: ??? what's the meaning of error in compiler of sun
solaris? (lan haiping)
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Message: 1
Date: Thu, 15 May 2008 23:43:01 -0700 (PDT)
From: Vidur Parkash
Subject: [Pw_forum] DOS Units
To: pw_forum at pwscf.org
Message-ID: <290135.76297.qm at web35406.mail.mud.yahoo.com>
Content-Type: text/plain; charset="iso-8859-1"
A simple question
In what units does dos.x return the values of density of states? Is it states / eV / m^3 or something else?
Vidur
Vidur Parkash
Electrical & Computer Engineering
Michigan Technological University
716 EERC, 1400 Townsend Drive
Houghton, MI-49931, USA
Tel: 1-906-487-0023
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Message: 2
Date: Fri, 16 May 2008 14:56:15 +0800
From: "lan haiping"
Subject: Re: [Pw_forum] DOS Units
To: vparkash at mtu.edu, "PWSCF Forum"
Message-ID:
Content-Type: text/plain; charset="iso-8859-1"
from dos.f90:
! Output:
!
! The total DOS (states/eV plotted vs E in eV) is written to file
"fildos"
regards,
Hai-Ping
On Fri, May 16, 2008 at 2:43 PM, Vidur Parkash wrote:
> A simple question
>
> In what units does dos.x return the values of density of states? Is it
> states / eV / m^3 or something else?
>
> Vidur
>
>
> Vidur Parkash
> Electrical & Computer Engineering
> Michigan Technological University
> 716 EERC, 1400 Townsend Drive
> Houghton, MI-49931, USA
> Tel: 1-906-487-0023
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>
>
--
Hai-Ping Lan
Department of Electronics ,
Peking University , Bejing, 100871
lanhaiping at gmail.com, hplan at pku.edu.cn
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Message: 3
Date: Fri, 16 May 2008 06:51:12 +0000
From: hania djani-ait aissa
Subject: [Pw_forum] polarization calculation in ferroelectrics
To:
Message-ID:
Content-Type: text/plain; charset="iso-8859-1"
Dear all,
I am new PWSCF user, I am trying to calculate polarization in Bi4Ti3O12. this material is centered tetragonal in its paraelectric phase and orthorhombic bases centered in its ferroelectric one. having in mind the papers of Resta, King-smith and Vanderbilt, i have to fix the initial state with P=0 and then make a small displacement of a subgroup with respect to others. my question is: what will be the initial structure to put as input? the paraelectric tetragonal one with its symmetry center, or the ferroelectric one were i force the orthorhombic structure to be centered , relaxing all atoms and making the small displacement??
thank you in advance,
Hania
H. Djani Ait Aissa
Center of Development of Advanced Technologies
Haouch Oukil, PoBox.017, Algiers, Algeria
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Message: 4
Date: Fri, 16 May 2008 09:08:33 +0200
From: Dal Corso Andrea
Subject: Re: [Pw_forum] bug report in PWCOND
To: PWSCF Forum
Message-ID: <1210921713.3353.2.camel at dhpc-5-03.sissa.it>
Content-Type: text/plain
Dear Zhiping,
You are right, thank you. I will correct the cvs version.
Andrea Dal Corso
On Thu, 2008-05-15 at 19:05 -0500, zx3 at rice.edu wrote:
> 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
> -------------------------------------------------------------
> INTEGER :: nrx, nry, fftxy(-nrx:nrx, -nry:nry), &
> number, n1, n2
> -------------------------------------------------------------
> where -nry was mistyped as -nrx
> Best,
> Zhiping
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
--
Andrea Dal Corso Tel. 0039-040-3787428
SISSA, Via Beirut 2/4 Fax. 0039-040-3787528
34014 Trieste (Italy) e-mail: dalcorso at sissa.it
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Message: 5
Date: Fri, 16 May 2008 09:34:45 +0200 (CEST)
From: "Lorenzo Paulatto"
Subject: Re: [Pw_forum] acml - mkl
To: "PWSCF Forum"
Message-ID: <14099.79.1.239.82.1210923285.squirrel at webmail.sissa.it>
Content-Type: text/plain;charset=iso-8859-1
On Thu, May 15, 2008 19:36, Eduardo Ariel Menendez Proupin wrote:
> the operating system has a strange architecture x86_64 (as given by the
> command uname -a), but the
As far as I know, x86_64 is the standard name for 64bit architectures
AMD64 and Intel64 (not itanium).
--
Lorenzo Paulatto
SISSA & DEMOCRITOS (Trieste)
+39 040 3787 511
http://people.sissa.it/~paulatto/
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Message: 6
Date: Fri, 16 May 2008 09:40:39 +0200 (CEST)
From: "Lorenzo Paulatto"
Subject: Re: [Pw_forum] Starting magnetization
To: "Axel Kohlmeyer" , "PWSCF Forum"
Message-ID: <14173.79.1.239.82.1210923639.squirrel at webmail.sissa.it>
Content-Type: text/plain;charset=iso-8859-1
On Thu, May 15, 2008 20:53, Axel Kohlmeyer wrote:
> yes. the parameter ntypx determins the maximum number
> of atom type entries. it is set in Modules/parameters.f90
> and the default value is 10.
In version 4.0 there only a few (maybe zero), static arrays of size ntyp.
I think we could have removed that limit for the next release, but there
is not enough time now. It will be done for 4.1
bye
--
Lorenzo Paulatto
SISSA & DEMOCRITOS (Trieste)
+39 040 3787 511
http://people.sissa.it/~paulatto/
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Message: 7
Date: Fri, 16 May 2008 09:44:21 +0200 (CEST)
From: "Lorenzo Paulatto"
Subject: Re: [Pw_forum] what's the meaning of error in compiler of sun
solaris?
To: "PWSCF Forum"
Message-ID: <14222.79.1.239.82.1210923861.squirrel at webmail.sissa.it>
Content-Type: text/plain;charset=iso-8859-1
On Fri, May 16, 2008 04:01, ???? ?? wrote:
> what is the meaning of the error, and how to deal with it? Please give
> me some suggestios.
Dear Zhuzhenye,
you could have provided a few more lines to help us figure out what is
going on. From what I can see, it looks like you are missing some basic
development libraries. I'm no Solaris guru, but I can imagine there are
some development packages you can install in the system. Have you checked
they are actually installed?
regards
P.S. please provide your affiliation when writing to this mailing list
--
Lorenzo Paulatto
SISSA & DEMOCRITOS (Trieste)
+39 040 3787 511
http://people.sissa.it/~paulatto/
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Message: 8
Date: Fri, 16 May 2008 18:54:46 +0800 (CST)
From: ?? ?
Subject: [Pw_forum] ??? what's the meaning of error in compiler of sun
solaris?
To: pw_forum at pwscf.org
Message-ID: <423629.23615.qm at web15807.mail.cnb.yahoo.com>
Content-Type: text/plain; charset="gb2312"
??????????
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????????????
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Message: 9
Date: Fri, 16 May 2008 19:25:46 +0800
From: "lan haiping"
Subject: Re: [Pw_forum] ??? what's the meaning of error in compiler of
sun solaris?
To: "PWSCF Forum"
Message-ID:
Content-Type: text/plain; charset="gb2312"
Why do you repeat your email's content ?
This is a mail-list, and every thread will be kept.
Just forwarding your previous mail to this mai-list won't
help your problem solve . You should give more detailed
compilation environments
2008/5/16 ?? ? :
>
>
> ??????????
>
> ------------------------------
> ????????????
>
> ---------- Forwarded message ----------
> From: ?? ?
> To: pw_forum at pwscf.org
> Date: Fri, 16 May 2008 10:01:14 +0800 (CST)
> Subject: what's the meaning of error in compiler of sun solaris?
> Dear users:
> I want to compile pwscf in sun solaris 9.0. when i make pw, the error
> appears as following:
> ld: fatal: Symbol referencing errors. No output written to
> pw.x
> *** Error code 1
> make: Fatal error: Command failed for target `pw.x'
> Current working directory /zzy/espresso-4.0/PW
> *** Error code 1
> make: Fatal error: Command failed for target `pw'
> what is the meaning of the error, and how to deal with it? Please give me
> some suggestios.
>
> Regards
>
> zhuzhenye
>
>
> ------------------------------
> ????????????
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>
>
--
Hai-Ping Lan
Department of Electronics ,
Peking University , Bejing, 100871
lanhaiping at gmail.com, hplan at pku.edu.cn
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