Re: [Wien] Error

2018-07-20 Thread Gavin Abo 
You should compile all programs again with siteconfig.  However, before 
you do that, you must change your compiler settings to target the 
correct architecture for your system.


ifort -o ./nn struk.o variable_fields.o nn.o dirlat.o ord2.o 
reduce_alloc.o bvan.o  -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip 
-DINTEL_VML -traceback -03 -AVX  
-L/opt/intel/compilers_and_libraries_2018.2.199/linux/mkl/lib/ 
-pthread -i -static


I don't know for sure, but maybe it is because your system processor 
doesn't support AVX.  I would try removing the -AVX in siteconfig from 
your compiler settings.


However, since you have to compile again, I recommend using WIEN2k 
18.2.  I think there are some programs that do not work when WIEN2k 17.1 
is compiled with the Intel 2018 compiler without it being patched.  To 
patch WIEN2k 17.1, it is now better to update the individual packages 
according to the WIEN2k website [ 
http://susi.theochem.tuwien.ac.at/reg_user/updates/ ], but it becomes 
WIEN2k 18.2 anyway when you do that.  Since multiple individual packages 
of WIEN2k 17.1 have to be updated, something can more easily go wrong.  
Thus, I suggest installing WIEN2k 18.2 directly rather than trying to 
update the packages individually.


On 7/20/2018 12:36 AM, Subhasis Panda wrote:

Dear Sir,
As suggested by you, we checked for the nn directory in Wienroot & it 
was not there. So we copy it from SRC_nn. Then ls - l command show 
read write option but not excution option (x). So by chmod +x we make 
it excutable option. Then from w2web  initialize caln following errors 
are showing.


/home/anupriya/WIEN2k_17.1/nn
 : Exec format error. Wrong Architecture

error: command   /home/anupriya/WIEN2k_17.1/nn nn.def   failed
 n stop error n

Kindly suggest what to do.
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Re: [Wien] dstart_mpi error

2018-07-20 Thread karima Physique 
Dear Dr. Gavin Abo

thank you very much for your answers, my system does not have a HFI card
but I will try the second solution.

Le ven. 20 juil. 2018 à 02:54, Gavin Abo  a écrit :

> Good to hear that the "unable to get host address" and "unable to connect
> to server" errors are gone after you fixed the hosts file on each node.
>
> Regarding the "no hfi units are available" error, if your system has Intel
> OP HFI cards, then maybe they just need configured to work [
> https://software.intel.com/en-us/articles/using-intel-omni-path-architecture
> ].  If your system does not have HFI cards, then maybe you need to set the
> I_MPI_FABRICS environmental variable on your system to use a different
> fabric like tcp [
> https://software.intel.com/en-us/mpi-developer-guide-linux-selecting-fabrics
> ].
>
> I, however, am no expert on the Intel Parallel Studio Cluster Edition.
>
> So, if the above doesn't help, another resource is:
>
> Of the Intel Forums [ https://software.intel.com/en-us/forum ], the forum
> having the topic "Intel Clusters and HPC Technology" looks like it may be
> the most appropriate one to reach one of the Intel company's experts for
> the Intel Parallel Studio Cluster Edition.
> On 7/19/2018 10:57 AM, Laurence Marks wrote:
>
> As I said, this is in your IB (or similar) fabric.
>
> On Thu, Jul 19, 2018 at 11:54 AM, karima Physique <
> physique.kar...@gmail.com> wrote:
>
>> Dear prof. Laurence Marks
>>
>> *I note that I am using the latest version of intel compilers (Intel
>> Parallel Studio Cluster Edition)*
>> *I read about the possible solution but I did not find a solution related
>> to intel.*
>> *do you have any solution for this problem?*
>>
>> Le jeu. 19 juil. 2018 à 16:02, Laurence Marks 
>> a écrit :
>>
>>> See
>>>
>>> https://www.google.com/search?q=no+hfi+units+are+available+(err%3D23)&oq=no+hfi+units+are+available+(err%3D23)&aqs=chrome..69i57.481j0j4&sourceid=chrome&ie=UTF-8
>>> 
>>>
>>> This appears to be an issue with your local mpi/fabric.
>>>
>>> On Thu, Jul 19, 2018 at 8:03 AM, karima Physique <
>>> physique.kar...@gmail.com> wrote:
>>>
 *dear dr Gavin Abo*
 actually, the problem was solved by adding the hostname in the hosts
 file in all the nodes  and not only in the master node.

 now the calculation works very well but at each excusion of LAPW0 in
 the scf I get this error without affecting the calculations :
 *""calcul.23539PSM2 no hfi units are available (err=23)""*

 I would be grateful if you can help me solve this problem even though
 it does not affect the calculations

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Re: [Wien] Error

2018-07-20 Thread Lyudmila Dobysheva 

20.07.2018 10:36, Subhasis Panda wrote:
As suggested by you, we checked for the nn directory in Wienroot & it 
was not there. So we copy it from SRC_nn. Then ls - l command show read 
write option but not excution option (x). So by chmod +x we make it 
excutable option. Then from w2web  initialize caln following errors are 
showing.


/home/anupriya/WIEN2k_17.1/nn
  : Exec format error. Wrong Architecture
error: command   /home/anupriya/WIEN2k_17.1/nn nn.def   failed
  n stop error n


1. Try to do in terminal (not in w2web):
x nn

2. What is now the answer to
ls -l $WIENROOT/nn

3. What answers the command
whereis nn

Best wishes
Lyudmila Dobysheva



On Jul 12, 2018 12:11 PM, "Gavin Abo" wrote:
If nn does not exist in the directory /home/anupriya/WIEN2k_17.1/
but exists in the directory /home/anupriya/WIEN2k_17.1/SRC_nn, copy



On Sat, Jul 7, 2018 at 11:02 PM, Laurence Marks wrote:
Use "grep -ie error compile.msg"; what you included are not errors

On Sat, Jul 7, 2018, 11:32 Subhasis Panda wrote:
As suggested by you errors from the compile.msg are as
follows...



On Fri, Jul 6, 2018, 3:43 PM Peter Blaha wrote:
The problem clearly says:   nn not found.
Most likely, the installation (compilation) did NOT
work properly.
Check for the presence of /home/anupriya/WIEN2k_17.1/nn
if it does not exist,
cd SRC_nn; cat compile.msg    and check for errors.



Am 05.07.2018 um 08:36 schrieb Subhasis Panda:
>   next is setrmt
>   next is nn
> /home/anupriya/WIEN2k_17.1/nn: Command not found.
> 0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
> error: command  /home/anupriya/WIEN2k_17.1/nn nn.def
 failed
>   n stop error n


--
Lyudmila Dobysheva
--
Physics-Techn.Institute,
Udmurt Federal Research Center, Ural Br. of Rus.Ac.Sci.
426000 Izhevsk Kirov str. 132
Russia
---
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