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 ????:
I have not seen this information "./param.inc(16): error #5078:
Unrecognized token '#27' skipped?0?2 PARAMETER?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2 (NUME=?0?2?0?2 12000.)"
In param.inc, NUME=12000, without point...
------------------?0?2?????????0?2------------------
*??????:*?0?2"Peter Blaha"<pbl...@theochem.tuwien.ac.at>;
*????????:*?0?22020??4??17??(??????) ????4:59
*??????:*?0?2"wien"<wien@zeus.theochem.tuwien.ac.at>;
*????:*?0?2Re: [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 ????:
> 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
>
>
>
> ------------------?0?2?????????0?2------------------
> *??????:*?0?2"Peter Blaha"<pbl...@theochem.tuwien.ac.at>;
> *????????:*?0?22020??4??17??(??????) ????3:39
> *??????:*?0?2"wien"<wien@zeus.theochem.tuwien.ac.at>;
> *????:*?0?2Re: [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
>?0?2 ?0?2?0?2?0?2?0?2?0?2?0?2 PARAMETER?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2
(NUME=?0?2?0?2 12000.)
>
> PS: Why would you install Version 18.1 and not the most recent one ???
>
> Am 17.04.2020 um 09:20 schrieb ????:
>?0?2 > Dear Prof Blaha,
>?0?2 >
>?0?2 > I am installing wien version 18.1 on Linux with intel compiler (ifort)
>?0?2 > and mkl.
>?0?2 >
>?0?2 > There is not any warning message after installing, but there are not
>?0?2 > commands of lapw2_mip and lapw2c_mpi.
>?0?2 >
>?0?2 > The installed directory is as an attachment.
>?0?2 >
>?0?2 > Sincerely yours Yu Chen
>?0?2 >
>?0?2 >
>?0?2 >
>?0?2 > _______________________________________________
>?0?2 > Wien mailing list
>?0?2 > Wien@zeus.theochem.tuwien.ac.at
>?0?2 > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>?0?2 > SEARCH the MAILING-LIST at:
> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>?0?2 >
>
> --
> Peter Blaha
> Inst.Materials Chemistry
> TU Vienna
> Getreidemarkt 9
> A-1060 Vienna
> Austria
> +43-1-5880115671
> _______________________________________________
> Wien mailing list
> Wien@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
>
> _______________________________________________
> Wien mailing list
> Wien@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
>
--
Peter Blaha
Inst.Materials Chemistry
TU Vienna
Getreidemarkt 9
A-1060 Vienna
Austria
+43-1-5880115671
_______________________________________________
Wien mailing list
Wien@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
_______________________________________________
Wien mailing list
Wien@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
--
Peter Blaha
Inst.Materials Chemistry
TU Vienna
Getreidemarkt 9
A-1060 Vienna
Austria
+43-1-5880115671
_______________________________________________
Wien mailing list
Wien@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
