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To Torsten Andersen,<br>
<br>
The two machine is questions have the following specs (below). It seem
that different values of NUME and NMATMAX is what is defining the memory
usage of lapw1. But what would you recommend these values of NUME and NMATMAX
be considering the type of system WIEN2k is running on and the type of job
Dr Gotsis is running. How would increasing and decreasing these values affect
the job performance?<br>
<br>
Tru64 - DEC Alpha - 4 CPU - 4G Memory<br>
PARAMETER (NMATMAX= 10000)<br>
PARAMETER (NUME= 10000)<br>
<br>
IRIX - Origin 3800 - 32 CPU - 32G Memory<br>
PARAMETER (NMATMAX= 100000)<br>
PARAMETER (NUME= 100000)<br>
<br>
<br>
Tru64<br>
# size -A lapw1<br>
<br>
Size of lapw1:914464<br>
<br>
Section Size Physical Address
Virtual Address<br>
<br>
.dynamic 560 4831839536
4831839536<br>
.liblist 208 4831840096
4831840096<br>
.rel.dyn 32 4831840304
4831840304<br>
.conflic 96 4831840336
4831840336<br>
.dynstr 6048 4831840432
4831840432<br>
.dynsym 11408 4831846480
4831846480<br>
.hash 3968 4831857888
4831857888<br>
.text 379056 4831872000
4831872000<br>
.init 64 4832251056
4832251056<br>
.fini 64 4832251120
4832251120<br>
.got 4224 5368732848
5368732848<br>
.data 22176 5368709120
5368709120<br>
.xdata 1472 5368731376
5368731376<br>
.pdata 1552 4831870448
4831870448<br>
.rdata 80 5368731296
5368731296<br>
.rconst 8592 4831861856
4831861856<br>
.sbss 32 5368737072
5368737072<br>
.bss 470656 5368737104
5368737104<br>
.comment 4176 0
0<br>
#<br>
<br>
<br>
IRIX<br>
cmt3000 6# size lapw1<br>
<br>
<br>
Section Size Physical
Virtual<br>
Address
Address<br>
.interp 21 268435856
268435856<br>
.MIPS.options 136 268435880
268435880<br>
.dynamic 656 268436016
268436016<br>
.liblist 120 268436672
268436672<br>
.dynstr 4256 268436792
268436792<br>
.hash 3496 268441048
268441048<br>
.dynsym 8640 268444544
268444544<br>
.MIPS.symlib 360 268453184
268453184<br>
.msym 2880 268453544
268453544<br>
.conflict 336 268456424
268456424<br>
.MIPS.stubs 1224 268456760
268456760<br>
.text 262268 268457984
268457984<br>
.init 24 268720256
268720256<br>
.rodata 28616 268795904
268795904<br>
.data 8680 268824520
268824520<br>
.got 2016 268833200
268833200<br>
.lit8 1104 268835216
268835216<br>
.lit4 208 268836320
268836320<br>
.srdata 1158 268836528
268836528<br>
.sdata 4 268837688
268837688<br>
.bss 2768 268837696
268837696<br>
285575 + 40628 + 2768 = 328971<br>
<br>
<br>
<br>
Regards,<br>
Tanya Seno<br>
<br>
<br>
<pre wrap=""></pre>
Harry John Gotsis wrote:<br>
<blockquote type="cite"
cite="midPine.HPX.4.58.0405190908480.28268@wren.csun.edu">
<pre wrap="">Dear Tanya;
I'm forwarding the message I've received from Wien
regarding this big difference in memory
requirements between 3000 and Alpha.
Let me know your response.
Harry
---------- Forwarded message ----------
Date: Wed, 19 May 2004 08:09:33 +0200
From: Torsten Andersen <a class="moz-txt-link-rfc2396E" href="mailto:thor@physik.uni-kl.de"><thor@physik.uni-kl.de></a>
Reply-To: <a class="moz-txt-link-abbreviated" href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</a>
To: <a class="moz-txt-link-abbreviated" href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</a>
Subject: Re: [Wien] memory requirements
Dear Mr. Gotsis,
I do not think this is reasonable. Maybe you need to check the
compilers. Does the size of lapw1 change if you change NMATMAX?
If it does, there is a problem with dynamic allocation.
What comes out of the "size lapw1" command?
Best regards,
Torsten Andersen.
Harry John Gotsis wrote:
</pre>
<blockquote type="cite">
<pre wrap="">Dear Wien users;
I'm running a 16 atom cell in two different
machines (same parameters):
SGI Origin 3000 (Operating System IRIX6.5.20f)
DEC/Alpha (Operating System TRU64 v5.1)
In the 3000 the memory requirements for lapw1c
are 1OG, whereas in the Alpha are 550M.
Is this 3 orders of magnitude difference in
memory requirements reasonable?
Regards,
Harry Gotsis
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</pre>
</blockquote>
<pre wrap=""><!---->
</pre>
</blockquote>
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