date:20170629

[Wien] Knight's Landing

2017-06-29 Thread Laurence Marks

Has anyone testing Wien2k -- clues what is best?

-- 
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what
nobody else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu ; Corrosion in 4D: MURI4D.numis.northwestern.edu
Partner of the CFW 100% program for gender equity, www.cfw.org/100-percent
Co-Editor, Acta Cryst A
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Re: [Wien] help doping while preserving symmetry

2017-06-29 Thread Laurence Marks

No, you cannot preserve symmetry -- think about it!

On Thu, Jun 29, 2017 at 8:47 AM, Chouaib AHMANI FERDI <
ahmaniferdichou...@gmail.com> wrote:

> Hello Wien users,
>
> I would like to know if it can be possible to reduce the calculation time
> by preserving symmetry and replacing one atom of the non equivalent atoms
> with the doping atom. If possible, how ?
>
> The case structure is LiMn2O4 (space group : fd3m) and the doping atom is
> Ni which gives : LiNi0.5Mn1.5O4
>
> Faithfully,
>
>
> --
> AHMANI FERDI Chouaïb
> Ph.D Student in Material Science
> Ecole Normale Supérieure
> Mohammed V University, Rabat.
> Tel : +212 6 94 59 57 60
>
>
>


-- 
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu ; Corrosion in 4D: MURI4D.numis.northwestern.edu
Partner of the CFW 100% program for gender equity, www.cfw.org/100-percent
Co-Editor, Acta Cryst A
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[Wien] help doping while preserving symmetry

2017-06-29 Thread Chouaib AHMANI FERDI

Hello Wien users,

I would like to know if it can be possible to reduce the calculation time
by preserving symmetry and replacing one atom of the non equivalent atoms
with the doping atom. If possible, how ?

The case structure is LiMn2O4 (space group : fd3m) and the doping atom is
Ni which gives : LiNi0.5Mn1.5O4

Faithfully,


-- 
AHMANI FERDI Chouaïb
Ph.D Student in Material Science
Ecole Normale Supérieure
Mohammed V University, Rabat.
Tel : +212 6 94 59 57 60
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[Wien] Wien2wanner wplot error

2017-06-29 Thread Avijeet Ray

Dear Elias and wien2wannier user,
I tried to plot the wannier orbital of a perovskite system. Everything went
well until the command x wplot -wf m. It creates the necessary case_m.psink
and case_m.psiarg output files but, when i give the command wplot2xsf
following error comes out..

File "/home/kjyoti/WIEN2k_14/wplot2xsf", line 375, in 
if psink.readline().split()[0] != '3D':
IndexError: list index out of range

Any suggestion will be highly appreciated.

Thanks
Avijeet


-- 
Avijeet Ray
Research Scholar
Department of Physics
Indian Institute of Technology Roorkee
Roorkee -247667
Uttarakhand
India
Mob: +91 8938908313
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Re: [Wien] Parallelization and PBS on a single computer

2017-06-29 Thread Gavin Abo

/var/spool/torque/mom_priv/jobs/44.milkbar-computer.kage.SC: line 12: 
run_lapw: command not found

Perhaps the environmental variables need pushed out to all nodes, you 
might try adding the line #PBS -V [1,2] to your job submission script.

[1] http://www.nics.tennessee.edu/node/387
[2] http://www.open-mpi.org/community/lists/users/2008/10/6982.php

On 6/28/2017 11:49 PM, Yoji Kobayashi wrote:

Dear Users,

I have a some questions/problems regarding parallelization and PBS.
I’m not sure if I’m really running parallel vs. serial, and my PBS 
script isn’t working.

===
My system info:
Intel Xeon CPU E5-2630 v2 @2.6 GHz, 24 CPUS
Memory: 32GB
Running Wien2k_13, on Ubuntu 14.04.03
File system: ext4
(This is considered a single node with 24 processors?)
===
My first question is, am I really running a parallel calculation in a 
meaningful way?

What I try:
In w2web, a serial calculation (SCF only)  for the TiC example  (500 k 
points) takes about 25 sec. to converge.
I do the same calculation (starting with a new case) but setting 
parallelization in w2web, with slightly different .machine files for 
each case:

Case 1:
1:localhost

Case 2 (i.e. 20 lines of below):
1:localhost
1:localhost
…
1:localhost
1:localhost

Case 3
1:localhost:20

(no lines referring to granularity, etc for now)

What I get:
Case 1 computes in about 54 sec;
Case 2 computes in 1min23 sec.;
Case 3 gives an error in runninglapw2, see thedayfile below:
-
Calculating YK-016-TiC in /home/milkbar/Yoji/YK-016-TiC
on milkbar-computer with PID 18077
using WIEN2k_13.1 (Release 17/6/2013) in /home/milkbar/WIEN2k_13

 start  (2017å¹´  6æœˆ 29æ—¥ æœ¨æ›œæ—¥ 14:23:39 JST) with lapw0 (40/99 
to go)

 cycle 1(2017å¹´  6æœˆ 29æ—¥ æœ¨æ›œæ—¥ 14:23:39 JST)(40/99 to go)

>   lapw0 -p (14:23:39) starting parallel lapw0 at 2017å¹´  6æœˆ 29æ—¥ 
æœ¨æ›œæ—¥ 14:23:39 JST
 .machine0 : processors
running lapw0 in single mode
1.7u 0.0s 0:01.84 98.3% 0+0k 16+440io 0pf+0w
>   lapw1  -p(14:23:41) starting parallel lapw1 at 2017å¹´  6æœˆ 29æ—¥ 
æœ¨æ›œæ—¥ 14:23:41 JST
->  starting parallel LAPW1 jobs at 2017å¹´  6æœˆ 29æ—¥ æœ¨æ›œæ—¥ 14:23:41 JST
running LAPW1 in parallel mode (using .machines)
1 number_of_parallel_jobs
  localhost localhost localhost localhost localhost localhost localhost 
localhost localhost localhost localhost localhost localhost localhost localhost 
localhost localhost localhost localhost localhost(20) 20 total processes failed 
to start
0.0u 0.0s 0:00.20 10.0% 0+0k 8080+8io 23pf+0w
Summary of lapw1para:
localhostk=0 user=0  wallclock=0
0.0u 0.0s 0:02.10 0.9% 0+0k 8208+216io 24pf+0w
>   lapw2 -p (14:23:43) running LAPW2 in parallel mode
**  LAPW2 crashed!
0.0u 0.0s 0:00.07 28.5% 0+0k 32+104io 0pf+0w
error: command   /home/milkbar/WIEN2k_13/lapw2para lapw2.def   failed

>   stop error
--
Is my “serial” calculation actually processed over 24 CPUs already, so this is 
why it is faster than Case 2? Or am I doing something wrong? Why does Case 3 
crash?

My second question is about PBS.
I installed torque PBS, and created a queue:

# create default queue
 qmgr -c 'create queue batch'
 qmgr -c 'set queue batch queue_type = execution'
 qmgr -c 'set queue batch started = true'
 qmgr -c 'set queue batch enabled = true'
 qmgr -c 'set queue batch resources_default.walltime = 1:00:00'
 qmgr -c 'set queue batch resources_default.nodes = 1'
 qmgr -c 'set server default_queue = batch’

and followed other instructions on
https://jabriffa.wordpress.com/2015/02/11/installing-torquepbs-job-scheduler-on-ubuntu-14-04-lts/

The PBS system seems to work since I can submit very simple scripts 
and see them on qstat. My problem is that when I try to submit a 
serial wien2k job via PBS, it gives me an error (ultimately of course 
I’d like to submit them as parallel, but because of the ambiguity 
above I’ve kept it to serial) . Here's the PBS script and error message:

 #!/bin/tcsh
 ##PBS -A your_allocation
 # specify the allocation. Change it to your allocation
 #PBS -q batch
 #PBS -l nodes=1:ppn=20
 #PBS -l walltime=1:00:00
 #PBS -o wien2k_output
 #PBS -j oe
 #PBS -N wien2k_test
 cd $PBS_O_WORKDIR
 echo hello
 run_lapw -i 40 -ec .0001 -I

Error message (contents of wien2k_output):
hello
/var/spool/torque/mom_priv/jobs/44.milkbar-computer.kage.SC: line 12: 
run_lapw: command not found

The job is listed as complete in qstat, and the “hello” is written 
into thewien2k_output file. Changing the cd $PBS_O_WORKDIR to the path 
for the current case hasn’t changed anything. I can run run_lapwfrom 
the command line fine, though. Also, what do I write for allocation? 
(I commented it out, as I see other PBS scripts don’t always have this.)

I’ve also tried the parallel case, with the following PBS script. I 
set up the .structure file and do the initialization with w2web. I 
leave the “parallel calculation” option unchecked when setting up the 
case file in w2web.

 #!/bin/tcsh
 ##PBS -A

Re: [Wien] Parallelization and PBS on a single computer

2017-06-29 Thread Peter Blaha

I hope you did read the chapter about parallelization in the UG ??

Then you should know what the 3 cases actually do.

A few remarks:
case 2: This is k-point parallelization and you are running just 1
k-point in each lapw1 case. Now the time for one k-point is very short
(if it is standard TiC it should be below 0.1 sec/k). In this mode you
have to span 20 jobs (which are even delayed by DELAY seconds in
lapw1para_lapw) and this takes MUCH more time then the actual run time
of 20 k-points on a single core.
In essence: you cannot speedup with parallelization to an arbitrary
level, but you have to "think" or eventually test each case individually
until you get a feeling what the optimal number of cores is for your
present input. If the single core time is "nearly zero", parallelization
will not be faster, but in fact it will be SLOWER due to parallelization
overhead and this is what you observe.

PS: In addition: If one k-point on one core takes 10 seconds, if you run
20 such jobs in parallel, each single job will be MUCH slower. These
Intel multicore cpus are "memory-bus limited", i.e. Intel sells you
expensive cpus with 24 cores, but the memory bus can handle only much
less cores efficiently and in fact these many cores are useless for most
(memory bound applications) applications and everything slows down when
you try to use all of them.

case 3) this is mpi-fine grain parallelization. Basically here the same
thing is happening: Splitting up such a small matrix on 20 cores is very
inefficient and will run slower than a non-parallel run. It is mentioned
explicitly in the UG that you should use mpi-parallelization for cells
with more than 50 atoms.

Your tests will be VERY different, when you use a "big" case with a
larger unit cell.

Strategy:
Use larger cases for parallel tests.
Always monitor your tests with the "top" command, so that you can see
what happens.
Try to use "export OMP_NUMB_THREAD 2" (or 4 or 8) and check timings.
This uses 2 or 4 cores in all blas calls (large fraction of lapw1).

I don't know why your mpi-job crashes in lapw2. There must be more info ...

PBS error: obviously your PBS does not transfer the "environment".
When you type: run_lapw, the system finds this command because it is in
your PATH, which was defined in your .bashrc file.
The PBS job does not take over your environment. Probably you can fix
this by including "source ~/.bashrc" in the script.

On 06/29/2017 07:49 AM, Yoji Kobayashi wrote:

Dear Users,

I have a some questions/problems regarding parallelization and PBS.
I’m not sure if I’m really running parallel vs. serial, and my PBS
script isn’t working.

===
My system info:
Intel Xeon CPU E5-2630 v2 @2.6 GHz, 24 CPUS
Memory: 32GB
Running Wien2k_13, on Ubuntu 14.04.03
File system: ext4
(This is considered a single node with 24 processors?)
===
My first question is, am I really running a parallel calculation in a
meaningful way?

What I try:
In w2web, a serial calculation (SCF only) for the TiC example (500 k
points) takes about 25 sec. to converge.
I do the same calculation (starting with a new case) but setting
parallelization in w2web, with slightly different .machine files for
each case:

Case 1:
1:localhost

Case 2 (i.e. 20 lines of below):
1:localhost
1:localhost
…
1:localhost
1:localhost

Case 3
1:localhost:20

(no lines referring to granularity, etc for now)

What I get:
Case 1 computes in about 54 sec;
Case 2 computes in 1min23 sec.;
Case 3 gives an error in runninglapw2, see thedayfile below:
-
Calculating YK-016-TiC in /home/milkbar/Yoji/YK-016-TiC

on milkbar-computer with PID 18077
using WIEN2k_13.1 (Release 17/6/2013) in /home/milkbar/WIEN2k_13

start (2017å¹´ 6æœˆ 29æ—¥ æœ¨æ›œæ—¥ 14:23:39 JST) with lapw0 (40/99
to go)

cycle 1 (2017å¹´ 6æœˆ 29æ—¥ æœ¨æ›œæ—¥ 14:23:39 JST)(40/99 to go)

lapw0 -p (14:23:39) starting parallel lapw0 at 2017å¹´ 6æœˆ 29æ—¥
æœ¨æ›œæ—¥ 14:23:39 JST

.machine0 : processors
running lapw0 in single mode
1.7u 0.0s 0:01.84 98.3% 0+0k 16+440io 0pf+0w

lapw1 -p (14:23:41) starting parallel lapw1 at 2017å¹´ 6æœˆ 29æ—¥
æœ¨æ›œæ—¥ 14:23:41 JST

-> starting parallel LAPW1 jobs at 2017å¹´ 6æœˆ 29æ—¥ æœ¨æ›œæ—¥ 14:23:41 JST
running LAPW1 in parallel mode (using .machines)
1 number_of_parallel_jobs
localhost localhost localhost localhost localhost localhost localhost
localhost localhost localhost localhost localhost localhost localhost localhost
localhost localhost localhost localhost localhost(20) 20 total processes failed
to start
0.0u 0.0s 0:00.20 10.0% 0+0k 8080+8io 23pf+0w
Summary of lapw1para:
localhost k=0 user=0 wallclock=0
0.0u 0.0s 0:02.10 0.9% 0+0k 8208+216io 24pf+0w

lapw2 -p (14:23:43) running LAPW2 in parallel mode

** LAPW2 crashed!
0.0u 0.0s 0:00.07 28.5% 0+0k 32+104io 0pf+0w
error: command /home/milkbar/WIEN2k_13/lapw2para lapw2.def failed

stop error

Is my “serial” calculation actually

Re: [Wien] Problem Regarding SLATER Calculations

2017-06-29 Thread Gavin Abo

Using WIEN2k 16.1 with the x_lapw.patch [1]?  If not, perhaps try the 
patch and see if the Unmatched error goes away or not.


[1] https://github.com/gsabo/WIEN2k-Patches/tree/master/16.1

On 6/29/2017 1:41 AM, t...@theochem.tuwien.ac.at wrote:

The Slater potential is not calculated because the HF module is not
executed. This is probably because of Unmatched " which I don't yet
understand where it comes from. A few questions:
Which solid are you considering?
What is exactly the command that you used to start the calculation?
What is the name of the directory?


On Wednesday 2017-06-28 22:02, apa...@iitk.ac.in wrote:


Date: Wed, 28 Jun 2017 22:02:38
From: apa...@iitk.ac.in
Reply-To: A Mailing list for WIEN2k users 


To: wien@zeus.theochem.tuwien.ac.at
Subject: Re: [Wien] Problem Regarding SLATER Calculations

The STDOUT




hup: Command not found.
STOP  LAPW0 END
STOP  LAPW0 END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  LAPW1 END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  LAPW1 END
STOP  LAPW2 END
Unmatched ".
STOP  LAPW2 END
Unmatched ".
STOP  CORE  END
STOP  CORE  END
STOP  MIXER END
in cycle 2ETEST: 0   CTEST: 0
hup: Command not found.
STOP  LAPW0 END
STOP  LAPW0 END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  LAPW1 END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  LAPW1 END
STOP  LAPW2 END
Unmatched ".
STOP  LAPW2 END
Unmatched ".
STOP  CORE  END
STOP  CORE  END
STOP  MIXER END
in cycle 3ETEST: 0   CTEST: 0
hup: Command not found.
STOP  LAPW0 END
STOP  LAPW0 END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  LAPW1 END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  LAPW1 END
STOP  LAPW2 END
Unmatched ".
STOP  LAPW2 END
Unmatched ".
STOP  CORE  END
STOP  CORE  END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  MIXER END
in cycle 4ETEST: .02503978   CTEST: .182651
hup: Command not found.
STOP  LAPW0 END
STOP  LAPW0 END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  LAPW1 END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  LAPW1 END
STOP  LAPW2 END
Unmatched ".
STOP  LAPW2 END
Unmatched ".
STOP  CORE  END
STOP  CORE  END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  MIXER END
in cycle 5ETEST: .081043035000   CTEST: .089823
hup: Command not found.
STOP  LAPW0 END
STOP  LAPW0 END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  LAPW1 END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  LAPW1 END
STOP  LAPW2 END
Unmatched ".
STOP  LAPW2 END
Unmatched ".
STOP  CORE  END
STOP  CORE  END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  MIXER END
in cycle 6ETEST: .05105681   CTEST: .018457
hup: Command not found.
STOP  LAPW0 END
STOP  LAPW0 END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  LAPW1 END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  LAPW1 END
STOP  LAPW2 END
Unmatched ".
STOP  LAPW2 END
Unmatched ".
STOP  CORE  END
STOP  CORE  END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  MIXER END
in cycle 7ETEST: .01306470   CTEST: .002347
hup: Command not found.
STOP  LAPW0 END
STOP  LAPW0 END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  LAPW1 END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  LAPW1 END
STOP  LAPW2 END
Unmatched ".
STOP  LAPW2 END
Unmatched ".
STOP  CORE  END
STOP  CORE  END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  MIXER END
in cycle 8ETEST: .002592665000   CTEST: .000702
hup: Command not found.
STOP  LAPW0 END
STOP  LAPW0 END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  LAPW1 END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  LAPW1 END
STOP  LAPW2 END
Unmatched ".
STOP  LAPW2 END
Unmatched ".
STOP  CORE  END
STOP  CORE  END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  MIXER END
in cycle 9ETEST: .00043674   CTEST: .28
hup: Command not found.
STOP  LAPW0 END
STOP  LAPW0 END

Re: [Wien] symmetry broken for Cccm

2017-06-29 Thread Peter Blaha


Dear Igor,

I looked into this subtle problem and came to the following conclusions:

a) There is nothing wrong with the code.

Calculations in

i)   I4/mmm (B-lattic, a a c),
ii)  Cccm (doubled unit cell, CXY, a*sqrt2,c,a*sqrt2)and the
iii) Pma2 (primitive (again doubled) supercell, a+sqrt2,a*sqrt2,c)

yield total energies of E, 2E and 4E within microRy precision, identical 
charges, 


b) with respect to band structures there seems to be a subtle difficulty 
in interpreting the back-folding, which occurs in these cases.


I attach two plots for only a small (not over crowded) E-window to make 
the effects more clear.
i) The first plot in the smallest cell (I4/mmm) shows the bands from 
Gamma-X, but shown actually from Gamma-AB(1/4,1/4,0) and X(labelled 
2AB)(1/2,1/2,0)-AB(1/4,1/4,0), because this is what you will see when 
backfolding the BZ in the larger cell.


ii) The other plot in Cmmc (doubled cell, rotated) shows the bands from 
C (0,0,1/2) - Gamma - A(1/2,0,0) - 2A(1,0,0).
Obviously, the results of C-Gamma agree with the backfolded bands of i) 
(after overlaying them and mirroring).
On the other hand, out of the 4 bands C-Gamma, only the 1st and 4th of 
Gamma-A agree, while the other two disagree.
However, if I continue in this direction up to 2A, I can find in A-2A 
the 2 "missing bands".
So actually the C-Gamma direction is equivalent to Gamma-2A, but the 
latter also contains some other backfolded direction of the original 
I4/mmm cell (which I'm too lazy to identify ...)


So obviously, backfolding in these various centered cells is more 
difficult, but for sure consistently included.


Best regards
Peter

On 06/27/2017 08:31 PM, mazin wrote:

Hi,

I am running a pretty standard calculation for the BaFe2As2
superconductor; have done zillions of those before. For testing
purposes, I wanted to plot bands for the double-cell AF structure
(.struct attached), but for the nonmagnetic case and, again, I do think
I did the same before with no problems. Now I am using the 14.2, and it
may be that I had used other versions before.
Without magnetism, this structure is equivalent to I4/mmm (and WIEN2k
does find this symmetry, if both Fe are made equivalent), so the
resulting band must, up to numerical noise, possess full tetragonal
symmetry. Yet, the bands along Gamm-X and Gamm-Y are noticeably
different (note that in this setting X=(1,0,0), but Y=(0,0,1)).
If I use the conventional cell (doubled, Pccm), the resulting bands have
proper symmetry - even though the underlying unit cell is orthorhombic.
So, the problem appears if the cell is base-centered.

Thanks!


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--

  P.Blaha
--
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
Email: bl...@theochem.tuwien.ac.atWIEN2k: http://www.wien2k.at
WWW:   http://www.imc.tuwien.ac.at/TC_Blaha
--


RUN1.spaghetti_ps.gz
Description: GNU Zip compressed data


tetra.spaghetti_ps.gz
Description: GNU Zip compressed data
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Re: [Wien] Problem Regarding SLATER Calculations

2017-06-29 Thread tran


The Slater potential is not calculated because the HF module is not
executed. This is probably because of Unmatched " which I don't yet
understand where it comes from. A few questions:
Which solid are you considering?
What is exactly the command that you used to start the calculation?
What is the name of the directory?


On Wednesday 2017-06-28 22:02, apa...@iitk.ac.in wrote:


Date: Wed, 28 Jun 2017 22:02:38
From: apa...@iitk.ac.in
Reply-To: A Mailing list for WIEN2k users 
To: wien@zeus.theochem.tuwien.ac.at
Subject: Re: [Wien] Problem Regarding SLATER Calculations

The STDOUT




hup: Command not found.
STOP  LAPW0 END
STOP  LAPW0 END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  LAPW1 END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  LAPW1 END
STOP  LAPW2 END
Unmatched ".
STOP  LAPW2 END
Unmatched ".
STOP  CORE  END
STOP  CORE  END
STOP  MIXER END
in cycle 2ETEST: 0   CTEST: 0
hup: Command not found.
STOP  LAPW0 END
STOP  LAPW0 END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  LAPW1 END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  LAPW1 END
STOP  LAPW2 END
Unmatched ".
STOP  LAPW2 END
Unmatched ".
STOP  CORE  END
STOP  CORE  END
STOP  MIXER END
in cycle 3ETEST: 0   CTEST: 0
hup: Command not found.
STOP  LAPW0 END
STOP  LAPW0 END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  LAPW1 END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  LAPW1 END
STOP  LAPW2 END
Unmatched ".
STOP  LAPW2 END
Unmatched ".
STOP  CORE  END
STOP  CORE  END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  MIXER END
in cycle 4ETEST: .02503978   CTEST: .182651
hup: Command not found.
STOP  LAPW0 END
STOP  LAPW0 END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  LAPW1 END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  LAPW1 END
STOP  LAPW2 END
Unmatched ".
STOP  LAPW2 END
Unmatched ".
STOP  CORE  END
STOP  CORE  END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  MIXER END
in cycle 5ETEST: .081043035000   CTEST: .089823
hup: Command not found.
STOP  LAPW0 END
STOP  LAPW0 END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  LAPW1 END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  LAPW1 END
STOP  LAPW2 END
Unmatched ".
STOP  LAPW2 END
Unmatched ".
STOP  CORE  END
STOP  CORE  END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  MIXER END
in cycle 6ETEST: .05105681   CTEST: .018457
hup: Command not found.
STOP  LAPW0 END
STOP  LAPW0 END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  LAPW1 END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  LAPW1 END
STOP  LAPW2 END
Unmatched ".
STOP  LAPW2 END
Unmatched ".
STOP  CORE  END
STOP  CORE  END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  MIXER END
in cycle 7ETEST: .01306470   CTEST: .002347
hup: Command not found.
STOP  LAPW0 END
STOP  LAPW0 END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  LAPW1 END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  LAPW1 END
STOP  LAPW2 END
Unmatched ".
STOP  LAPW2 END
Unmatched ".
STOP  CORE  END
STOP  CORE  END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  MIXER END
in cycle 8ETEST: .002592665000   CTEST: .000702
hup: Command not found.
STOP  LAPW0 END
STOP  LAPW0 END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  LAPW1 END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  LAPW1 END
STOP  LAPW2 END
Unmatched ".
STOP  LAPW2 END
Unmatched ".
STOP  CORE  END
STOP  CORE  END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  MIXER END
in cycle 9ETEST: .00043674   CTEST: .28
hup: Command not found.
STOP  LAPW0 END
STOP  LAPW0 END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  LAPW1 END
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP  LAPW1 END
STOP  LAPW2 END
Unmatched

[Wien] Knight's Landing

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