[Wien] Re： Re： Wien Installation

[Peter Blaha]

First of all, you have set   NMATMAX=120000 ????

A non-mpi calculation usually does not have enough memory to handle such 
a matrix and even if it would have, it would take forever.

(WIEN2k is internally increasing the effective NMATMAX for lapw1_mpi 
depending on the number of cores in use). Please read the UG 
(Installation) what it says about that.

Second:  in SRC_lapw1   type:

make

and check for proper compilation or possible error messages.

If this works, type:  make rp

If also there are no error messages, go back to   siteconfig and 
recompile everything.



Am 17.04.2020 um 11:04 schrieb 晨晨:
> I have not seen this information "./param.inc(16): error #5078: 
> Unrecognized token '#27' skipped  PARAMETER          (NUME=   12000.)"
> 
> In param.inc, NUME=12000, without point...
> 
> 
> ------------------ 原始邮件 ------------------
> *发件人:* "Peter Blaha"<pblaha at theochem.tuwien.ac.at>;
> *发送时间:* 2020年4月17日(星期五) 下午4:59
> *收件人:* "wien"<wien at zeus.theochem.tuwien.ac.at>;
> *主题:* Re: [Wien] Re： Wien Installation
> 
> Obviously it is where it says it in the error message:
> 
> 
> SRC_lapw1/param.inc
> 
> 
> Am 17.04.2020 um 10:56 schrieb 晨晨:
>  > Thank you for your prompt reply.
>  >
>  > Would you like tell me which file containing the above error
>  > information, and how can I do? Because there is else problem when I
>  > install the last version, I think have a try to install this version at
>  > first.
>  >
>  > Sincerely yours
>  >
>  >
>  >
>  > ------------------ 原始邮件 ------------------
>  > *发件人:* "Peter Blaha"<pblaha at theochem.tuwien.ac.at>;
>  > *发送时间:* 2020年4月17日(星期五) 下午3:39
>  > *收件人:* "wien"<wien at zeus.theochem.tuwien.ac.at>;
>  > *主题:* Re: [Wien] Wien Installation
>  >
>  > You have "destroyed" your version.
>  >
>  > Apparently you changed the dimensions of NUME, but made it a floating
>  > point number instead of an integer.
>  >
>  > ./param.inc(16): error #5078: Unrecognized token '#27' skipped
>  >         PARAMETER          (NUME=   12000.)
>  >
>  > PS: Why would you install Version 18.1 and not the most recent one ???
>  >
>  > Am 17.04.2020 um 09:20 schrieb 晨晨:
>  >  > Dear Prof Blaha,
>  >  >
>  >  > I am installing wien version 18.1 on Linux with intel compiler (ifort)
>  >  > and mkl.
>  >  >
>  >  > There is not any warning message after installing, but there are not
>  >  > commands of lapw2_mip and lapw2c_mpi.
>  >  >
>  >  > The installed directory is as an attachment.
>  >  >
>  >  > Sincerely yours Yu Chen
>  >  >
>  >  >
>  >  >
>  >  > _______________________________________________
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>  >  >
>  >
>  > --
>  > Peter Blaha
>  > Inst.Materials Chemistry
>  > TU Vienna
>  > Getreidemarkt 9
>  > A-1060 Vienna
>  > Austria
>  > +43-1-5880115671
>  > _______________________________________________
>  > Wien mailing list
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>  > SEARCH the MAILING-LIST at:
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>  >
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>  >
> 
> -- 
> Peter Blaha
> Inst.Materials Chemistry
> TU Vienna
> Getreidemarkt 9
> A-1060 Vienna
> Austria
> +43-1-5880115671
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:  
> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
> 
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> 

-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
Getreidemarkt 9
A-1060 Vienna
Austria
+43-1-5880115671