to
reproduce the error.
HTH
--
Filippo SPIGA ~ http://fspiga.github.io ~ skype: filippo.spiga
On Mon, 14 Mar 2022 at 17:51, Manish Kumar <
manish.ku...@acads.iiserpune.ac.in> wrote:
> Dear Filippo,
>
> Thank you very much for your reply.
>
> The "# of threads" is t
Ops, typo while typing from the phone...
"are you using OMP_NUM_THREADS=48 or OMP_NUM_THREADS=12?"
(everything else is correct)
--
Filippo SPIGA ~ http://fspiga.github.io ~ skype: filippo.spiga
On Fri, 4 Mar 2022 at 09:33, Filippo Spiga wrote:
> Dear Manish,
>
>
nning your calculations.
HTH
--
Filippo SPIGA ~ http://fspiga.github.io ~ skype: filippo.spiga
On Wed, 2 Mar 2022 at 08:40, Manish Kumar <
manish.ku...@acads.iiserpune.ac.in> wrote:
> Dear all,
>
> I am using QE-GPU compiled on a 48-core Intel(R) Xeon(R) Platinum 8268 CPU
> @ 2.90GHz an
--
Filippo SPIGA ~ http://fspiga.github.io ~ skype: filippo.spiga
On Wed, 29 Dec 2021 at 06:44, LEUNG Clarence wrote:
> Dear QE developers
>
>
>
> Recently, I run the pw.x with GPU acceleration of QE7.0. And I run the
> pw.x with Serial version, my gpu is NVIDIA A100.
>
>
This advice is still valid: build one version with GPU support and one
without.
For what type of pw.x calculations (and why) you do not want to use GPU?
--
Filippo SPIGA ~ http://fspiga.github.io ~ skype: filippo.spiga
On Sun, 28 Nov 2021 at 14:21, Oliver Generalao
wrote:
> Hi,
>
Dear Daniel,
can you open a bug report here https://gitlab.com/QEF/q-e/-/issues and
provide a input case (+ pseudo) to reproduce the problem?
Thank you
--
Filippo SPIGA ~ http://fspiga.github.io ~ skype: filippo.spiga
On Tue, 2 Nov 2021 at 15:09, Daniel B. Straus wrote:
> He
the GPU is
attached. Consult your HPC centre User Support team to understand how to do
it.
--
Filippo SPIGA ~ http://fspiga.github.io ~ skype: filippo.spiga
On Mon, 2 Aug 2021 at 00:01, Takahiro Chiba <
takahiro_ch...@eis.hokudai.ac.jp> wrote:
> Dear experienced users,
>
>
to
target A100 products.
HTH
--
Filippo SPIGA ~ http://fspiga.github.io ~ skype: filippo.spiga
On Sun, 20 Jun 2021 at 16:29, Chiara Biz wrote:
> Dear QE team,
>
> we would like to compile the GPU-QE since we learnt that is faster for
> spin-polarized wavefunctions.
> We would like t
Hi all,
I tag a new pre-production version, v0.2. See
https://github.com/RSE-Cambridge/qe-gpu/releases/tag/v0.2
Please refer to README.md for additional information
Happy Computing
--
Filippo SPIGA ~ http://fspiga.github.io ~ skype: filippo.spiga
nstallation
> folder.
>>
>> Please send us the "install.config.log" file, this will hel understanding
>> what it is going on ...
>>
>>
> The log files can be found here (expiring in 48h):
> https://expirebox.com/download/71ceaf682dbf930ab015da
d remains stuck.
and have you set your PATH and LD_LIBRARY_PATH correctly after installing Open
MPI?
Please send us the "install.config.log" file, this will hel understanding what
it is going on ...
--
Filippo SPIGA ~ Quantum ESPRESSO Foundation ~ http:/
installed, just run "./configure
--enable-parallel" without specify MPIF90, FC or CC.
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ht Landing (KNL)?
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4 cluster with intel mpi. Could you please
> me to check what is going on? Thank you!
> I am trying to install slurm in a cluster running ubuntu 16.04.
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g. A little bit of tuning of your input, better
compile flags and the CPU will perform the same or faster than the CPU+GPU.
Because you have a GTX 1070 it does mean you must use it. If you buy a GPU only
for QE, do not buy that model. Very simple.
--
Filippo SPIGA ~ Quantum ESPRESSO Fo
otto (ICTP) and all ICTP staff for hosting the
event, the technical support (especially for the streaming) and the logistics.
[1] https://www.facebook.com/QuantumESPRESSO/
[2] https://twitter.com/QuantumESPRESSO
[3] https://www.linkedin.com/groups/4650183
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Filippo SPIGA ~ Quantum ESPRESSO Founda
PW, you enable the parallel mode
("--enable-parallel") and use MPI run. Keep MPI ranks same numbers as GPU.
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http://p
Interface (MPI) library installation required or not?
No, download Open MPi or install it via apt-get/yum/whatever on the system
Moreover make sure you have any fort of FFTW installed in the system as well.
--
Filippo SPIGA ~ Quantum ESPRESSO Foundation ~ http://
it shoudl work. I tested it multiple time a month ago in my system. I
will look into this or this night or tomorrow and get back to you.
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Filippo SPIGA ~ Quantum ESPRESSO Foundation ~ http://www.quantum-espresso.org
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apack --with-gpu-arch=sm_35
> --with-cuda-dir=/usr/local/cuda-7.5/bin --without-magma --with-phigemm
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many more, just google it.
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t;
>
> _______
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> Pw_forum@pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
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he installation packages.
No, it is not. Too early for any release.
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On Nov 22, 2016, at 11:48 PM, Mofrad, Amir Mehdi (MU-Student)
<am...@mail.missouri.edu> wrote:
> After I compiled version 6 I can't run it in parallel.
A bit more information about how you compiled and how your run will be useful
to understand your problem
--
Filippo SPIGA ~ Quantum
t version of Intel compiler (ifort --version)
- the CLE version on your system
- the output of configure (located in "install/config.log")
Thanks
[1] http://www.netlib.org/lapack/index.html
--
Filippo SPIGA ~ Quantum ESPRESSO Foundation ~ http://www.q
.
I've also looked into converting the videos in a format friendly to be uploaded
on YouTube. This is feasible, despite the poor resolution. It just require time.
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* Sent from my iPhone, sorry for typos *
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uot;Doc/release-notes" for additional details about the release (new
features, fixes, incompatibilities, known bugs). For any new bug, suspicious
misbehavior or any proven reproducible wrong result please get in contact with
the developers by writing directly to q-e-develop...@qe-forge
environment not detected \(is this a parallel machine?\).\
> Configured for compilation of serial executables.
>
> What happened there? Does this mean I can only run with 1CPU? How to fix that?
>
> Many thanks,
>
> Tao
--
Filippo SPIGA ~ Quantum ESPRESSO
$ make test-suite
and serial tests for PW and CP will be performed
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o's fixes. Feel free to try run it and give us feedback if the
issue you saw still persists on the machine you run the initial tests.
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000407FBD MAIN__ 30
> pwscf.f90
> pw.x 00407F1E Unknown Unknown Unknown
> libc.so.6 0034F221ED1D Unknown Unknown Unknown
> pw.x 00407E29 Unknown Unknown Unkn
y tested the installation using 8 processes
> distributed on 2 nodes, so communication across nodes is not a problem.
> When I, however, run the same calculation on 64 cores, I am getting the
> following error messages in the stdout:
--
Filippo SPIGA ~ Quantum ESPRESSO Foun
On Aug 31, 2016, at 9:33 PM, Ilya Ryabinkin <igryabin...@gmail.com> wrote:
> So, the bottom line: ZGEMM and MATMUL should give the same, right?
assuming you get all paramaters right, yes.
However, as best practice, use always ZGEMM instead of MATMUL.
--
Filippo SPIGA ~ Quantum
On Aug 30, 2016, at 10:22 PM, Ye Luo <xw111lu...@gmail.com> wrote:
> Maybe a check can be added to prevent users using old compilers in this case.
This can be done. Put on the list.
--
Filippo SPIGA ~ Quantum ESPRESSO Foundation ~ http://www.quantum-esp
compiler?
ELPA is going to become a complete separate dependency instead of being part of
the QE package (see "archive/"). Something like ScaLAPACK. Users will have to
download, build and link it to QE explicitly. The configure in v6.0 will handle
this case better than now.
--
Filippo SP
om other FX10/K user.
>
> Best regards,
>
> Mitsuaki Kawamura
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*** [w90] Error 1
> make[2]: Leaving directory `/home/saint/Softwares/6.0/install'
> make[1]: *** [w90] Error 1
> make[1]: Leaving directory `/home/saint/Softwares/6.0'
> make: *** [wannier] Error 2
>
> PS: Also, some details/clarification on "band_plot" tool in epw
Hello,
anyone is currently running Quantum ESPRESSO on a SPARC64 architecture (e.g. K
Computer)?
Please get in touch. Thanks!
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there may be issues and
*not* all third-party packages are supported and available at this stage. After
the beta period this archive will be removed.
We appreciate and value your feedback, PLEASE download and try it. We look
forward to hearing from you.
Happy Computing
--
Filippo SPIGA ~ Quantu
ech details:
> NVIDIA GF110GL
> AMD
> CentOS release 6.7
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* Sent from my iPhone, sorry for typos *
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are currently avaliable to the
successful applicants, check http://mhpc.it/ for more information!
Please fee free to forward the message to your colleagues and peers. Thank you.
--
Mr. Filippo SPIGA, M.Sc.
Quantum ESPRESSO Foundation
http://www.quantum-espresso.org ~ skype: filippo.spiga
ion of Intel IFORT you
have?
Please run "ifort --version"
Thanks
--
Mr. Filippo SPIGA, M.Sc.
Quantum ESPRESSO Foundation
http://www.quantum-espresso.org ~ skype: filippo.spiga
*
Disclaimer: "Please note this message and any attachments are CONFIDENTIAL and
may be privileged
more details about the error you get?
Upgrade the compiler is a solution and not a bad idea after all. But I am still
curious to see and understand the error.
Regards
--
Mr. Filippo SPIGA, M.Sc.
Quantum ESPRESSO Foundation
http://www.quantum-espresso.org ~ skype: filippo.spiga
*
Disclai
is something that is possible to
use on GEFORCE and QUADRO products. On TESLA product line double precision
performance is sadisfactory per se.
--
Mr. Filippo SPIGA, M.Sc.
Quantum ESPRESSO Foundation
http://www.quantum-espresso.org ~ skype: filippo.spiga
*
Disclaimer: "Please no
e to single (for some part it may work, for other may not), domain experts
in the physics can give a proper answer to this. from an implementation point
of you, again, cannot be done.
HTH
Cheers
--
Mr. Filippo SPIGA, M.Sc.
Quantum ESPRESSO Foundation
http://www.quantum-espresso.org ~
On Apr 28, 2016, at 4:42 PM, Fabricio Cannini <fcann...@gmail.com> wrote:
> On 28-04-2016 10:00, Filippo SPIGA wrote:
>> Hello Fabricio,
>>
>> On Apr 25, 2016, at 10:46 PM, Fabricio Cannini <fcann...@gmail.com> wrote:
>>> I'm not sseing
ture. We rely on
you people like you to give us feedback is something does not work properly :-)
Cheers
--
Mr. Filippo SPIGA, M.Sc.
Quantum ESPRESSO Foundation
http://www.quantum-espresso.org ~ skype: filippo.spiga
*
Disclaimer: "Please note this message and any attachments are CONFIDEN
isbehavior or any proven reproducible wrong result please get in
contact with the developers by writing directly to q-e-develop...@qe-forge.org .
Happy Computing!
--
Mr. Filippo SPIGA, M.Sc.
Quantum ESPRESSO Foundation
http://www.quantum-espresso.org ~ skype: filippo.spiga
*
Disclaimer: &q
to the filesystem and is independent of the compiler.
--
Mr. Filippo SPIGA, M.Sc.
Quantum ESPRESSO Foundation
http://www.quantum-espresso.org ~ skype: filippo.spiga
*
Disclaimer: "Please note this message and any attachments are CONFIDENTIAL and
may be privileged or otherwise pr
Dear James,
did you make sure to clean everything before move from CUDA 5.5 to CUDA 6.5?
Meaning:
$ make -f Makefile.gpu distclean
and re-run the configure from GPU/ folder. What happen if you disable MAGMA?
Does it compile?
--
Mr. Filippo SPIGA, M.Sc.
Quantum ESPRESSO Foundation
http
calculation, to resume safely
without need to recompute too much.
This suggestion is driven by common sense, not because of how QE or QE-GPU work.
HTH
--
Filippo SPIGA
* Sent from my iPhone, sorry for typos *
> On 16 Feb 2016, at 07:01, Rolly Ng <roll...@gmail.com> wrote:
>
> Dear Pao
GPU for almost 7 days without stop.
Just a consideration, valid with or without GPU: unless not possible, _never_
run continuously for so long. It is a bad idea for multiple reasons. Always
safely checkpoit/restart your calculation more often.
Cheers
--
Filippo SPIGA
* Sent from my iPhone
cific output that can be compared with previously stored reference outputs.
The script which extract numerical quantities needs to be extended and it is
something in the TODO list.
HTH
--
Mr. Filippo SPIGA, M.Sc.
Quantum ESPRESSO Foundation
http://www.quantum-espresso.org ~ skype: fil
ery
little) increase in performance. But if too much memory is pinned, the system
can get slow. It is not intuitive why but it can happen.
HTH
--
Mr. Filippo SPIGA, M.Sc.
Quantum ESPRESSO Foundation
http://www.quantum-espresso.org ~ skype: filippo.spiga
*
Disclaimer: "Please note this
double-precision support or if you are planning to use the server _only_ for QE
then I suggest you to go for the CPU-only solution.
> 4. I know that CUDA is nvida's platform but is it possible to run Quantum
> ESPRESSO on AMD's platform (i.e on AMD APU series processors)?
No.
HTH
--
email the "install/config.log" file and your make.sys.
Regards
--
Mr. Filippo SPIGA, M.Sc.
Quantum ESPRESSO Foundation
http://www.quantum-espresso.org ~ skype: filippo.spiga
*
Disclaimer: "Please note this message and any attachments are CONFIDENTIAL and
may be privileg
Dear everybody,
Windows executables for QE 5.3.0 (both serial and parallel for 32 and 64 bits),
courtesy of Axel Kohlmeyer, are now available on QE-FORGE at the same address
below.
Best Regards
On Jan 11, 2016, at 5:23 PM, Filippo SPIGA <filippo.sp...@quantum-espresso.org>
wrote:
>
suspicious misbehavior or any proven reproducible wrong result please get in
contact with the developers by writing directly to q-e-develop...@qe-forge.org .
Happy Computing!
--
Mr. Filippo SPIGA, M.Sc.
Quantum ESPRESSO Foundation
http://www.quantum-espresso.org ~ skype: filippo.spiga
*
Disclaimer: &q
I identified where the problem comes from, I can apply a patch to the next
QE-GPU release that will be out this weekend.
I will send you a separate file for QE 14.10.
--
Mr. Filippo SPIGA, M.Sc.
http://fspiga.github.io ~ skype: filippo.spiga
«Nobody will drive us out of Cantor's paradise
NVIDIA GPU Kepler architecture.
Best suggestion is to move to QE 5.3.0 and get the QE-GPU bundled with it.
Updates will arrive with the next release as well since now the two are
aligned. tar.gz and announcement will made during the weekend.
Cheers
--
Mr. Filippo SPIGA, M.Sc.
Quantum ESPRESSO Found
t
> tested yet this combination.
Me neither.
Rolly, to be safe I would assume ENVIRON and QE-GPU are not compatible but feel
free to try them together and validate results against a non-GPU execution.
Regards
--
Mr. Filippo SPIGA, M.Sc.
Quantum ESPRESSO Foundation
http://fspiga
Hello Eric,
can you share config.log file (located in install/) generated by configure?
Thanks!
--
Mr. Filippo SPIGA, M.Sc.
http://fspiga.github.io ~ skype: filippo.spiga
«Nobody will drive us out of Cantor's paradise.» ~ David Hilbert
*
Disclaimer: "Please note this message an
The binary that uses GPU is located under GPU/PW/pw-gpu.x
Try ldd
$ GPU/PW/pw-gpu.x
you will spot CUDA library dependencies sing that the binary need GPU libraries
and so will use GPUs.
--
Mr. Filippo SPIGA, M.Sc.
http://fspiga.github.io ~ skype: filippo.spiga
«Nobody will drive us out
the scripts. Anyway, they are too small to show any sort of acceleration and
some exploit functionalities of the code that are not GPU accelerated.
If you have a real test case instead of an example I suggest to start directly
with it. If you have no experience with the code, use CPU only first.
--
s and scatter across sockets
(if more than one) properly otherwise performance may sucks. Or, if I guess
correctly,
export I_MPI_PIN=on
export MPI_PIN_PROCESSOR_LIST=all:map=bunch
mpirun -genvall -np 8 ./pw.x -input ...
HTH
--
Mr. Filippo SPIGA, M.Sc.
Quantum ESPRESSO Foundation
http://fspiga.gi
Thanks.
--
Mr. Filippo SPIGA, M.Sc.
Quantum ESPRESSO Foundation
http://fspiga.github.io ~ skype: filippo.spiga
*
Disclaimer: "Please note this message and any attachments are CONFIDENTIAL and
may be privileged or otherwise protected from disclosure. The contents are not
to be disclosed t
simple CPU-only version.
HTH
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Quantum ESPRESSO Foundation
http://fspiga.github.io ~ skype: filippo.spiga
*
Disclaimer: "Please note this message and any attachments are CONFIDENTIAL and
may be privileged or otherwise protected from disclosur
Dear Natalie,
which version of intel compiler? We need to track these information to fix
backward compatibility and increase our testing coverage. Anyway, if needed I
can generate a patch to revert only these specific issue within the next 24h.
--
Mr. Filippo SPIGA, M.Sc.
Quantum ESPRESSO
suspicious misbehavior or any proven reproducible wrong result please get in
contact with the developers by writing directly to q-e-develop...@qe-forge.org .
Happy Computing!
--
Mr. Filippo SPIGA, M.Sc.
Quantum ESPRESSO Foundation
http://fspiga.github.io ~ skype: filippo.spiga
*
Disclaimer: &q
without you exporting manually some of those variables. Try without and see how
it goes.
If you are going to run QE on a single six core socket, avoid OpenMP if
parallel is enabled or disable parallel and leverage OpenMP. Both together do
not have much sense of such a few amount of cores.
HTH
mbers out of it then
you can double the number of MPI for each GPU (instead of 1:1 ratio, 2:1 ratio).
HTH
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Mr. Filippo SPIGA, M.Sc.
http://fspiga.github.io ~ skype: filippo.spiga
«Nobody will drive us out of Cantor's paradise.» ~ David Hilbert
*
Disclaimer: "Please note this m
Dear Mutlu,
On Aug 25, 2015, at 1:46 AM, Mutlu COLAKOGULLARI
<mutlucolakogull...@trakya.edu.tr> wrote:
> QE-GPU has been installed by intel cluster suite 13, cuda 5.5 and latest svn
> commits of QE and QE-GPU.
Please try QE 5.1.2 or 5.2.0 as reference versions, not the SVN.
--
r443.in > pw_gpu.out
> mpiexec -np 80 ./pw.x -input grir443.in > pw_cpu.out
>
> However, I see the differences between the numeric reported from pw_gpu.out
> and pw_cpu.out:
>
> pw_cpu.out:
> Magnetic moment per site:
> atom:1charge:1.6134magn
in espresso-5.1.1
> and get back to you.
>
>
> Thanks and regards,
> --
> Rajdeep Banerjee
> PhD student
> JNCASR, Bangalore
> India
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attached as "compilation_err.log".
>
> Please help
>
> Regards
>
>
>
> --
> Mohammed
> ___________
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you with this scenario. By email... it is kind of difficult (and
it is _not_ the scope of this mailing-list)
HTH
Cheers,
F
--
Mr. Filippo SPIGA, M.Sc.
http://fspiga.github.io ~ skype: filippo.spiga
«Nobody will drive us out of Cantor's paradise.» ~ David Hilbert
*
Disclaimer: "Please
suspicious misbehavior or any proven reproducible wrong result please get in
contact with the developers by writing directly to q-e-develop...@qe-forge.org .
Happy Computing!
Best Regards,
Filippo
--
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Quantum ESPRESSO Foundation
http://fspiga.github.io ~ skype: filippo.spig
to run it on single GPU.
Compile the code in serial, make sure you export CUDA_VISIBLE_DEVICES
accordingly to target the GPU you want.
Regards,
Filippo
--
Mr. Filippo SPIGA, M.Sc.
http://fspiga.github.io ~ skype: filippo.spiga
«Nobody will drive us out of Cantor's paradise.» ~ David Hilbert
*
Disc
GPU
> Memory |
> | GPU PID Type Process name Usage
> |
> |=|
> | 1 27680C ./pw-gpu.x
> 4563MiB |
> +
ian Institute of Technology, Indore
>
> M.Tech (VLSI Design & Microelectronics Technology)
> Department of ETCE
> Jadavpur University
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*** [pw-gpu] Error 2
>>> Please someone help me out
>>>
>>> Anubhav Kumar
>>> IITK
>>>
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ng Group
> JPL/CalTech
>
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«Nobody will drive us out of Cantor's par
2/GPU/PW'
> make: *** [pw-gpu] Error 2
> Please someone help me out
>
> Anubhav Kumar
> IITK
>
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* [phigemm] Error 2
> make[2]: Leaving directory `/home/anubhav/Downloads/espresso-5.1.2/phiGEMM'
> make[1]: *** [libphiGEMM] Error 2
> make[1]: Leaving directory
> `/home/anubhav/Downloads/espresso-5.1.2/GPU/install'
> make: *** [libphiGEMM] Error 2
>
> Please help me out.
>
way to configure it properly.
>
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> http://pwscf.org/mailman/listinfo/pw_forum
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Mr. Filippo SPIGA, M.Sc.
Quantum ESPRESSO Foundation
http://filippospiga.info ~ skype: filippo.spiga
«Nobody will drive us out of Cantor's paradise.» ~ Da
product (K20, K40 or K80).
F
On Apr 16, 2015, at 8:54 AM, H.Benaissa <ben_u...@yahoo.fr> wrote:
> Hi,
> can we use a graphic card of 5.2 compute capability to run QE-GPU calculation
>
> thank you in advance
--
Mr. Filippo SPIGA, M.Sc.
http://filippospiga.info ~ skype: fili
You,
>Sayan Chaudhuri
> IIT Indore
>
>
> ___
> Q-e-developers mailing list
> q-e-develop...@qe-forge.org
> http://qe-forge.org/mailman/listinfo/q-e-developers
--
Mr. Filippo SPIGA, M.Sc.
http://filippospiga.info ~ skype: filippo.spiga
«Nobody will drive
my job (just 2
> atoms) took very long time as compared with the serial calculations.
> Can someone guide me how to improve the parallel QE calculations.
> Thanks,
> Gul
--
Mr. Filippo SPIGA, M.Sc.
Quantum ESPRESSO Foundation
http://filippospiga.info ~ skype: filippo.spiga
«Nobody wi
limit -s unlimited
But make psic allocatable is indeed a more elegant solution.
F
--
Mr. Filippo SPIGA, M.Sc.
http://filippospiga.info ~ skype: filippo.spiga
«Nobody will drive us out of Cantor's paradise.» ~ David Hilbert
*
Disclaimer: "Please note this message and any attachments ar
@pwscf.org [mailto:pw_forum-boun...@pwscf.org]
>> On Behalf Of Filippo Spiga
>> Sent: Friday, February 06, 2015 4:03 PM
>> To: PWSCF Forum
>> Cc: <q-e-develop...@qe-forge.org>
>> Subject: Re: [Pw_forum] Build QE for Intel Phi native run
>>
>> Dear Hid
Indian
> Institute of Technology Bombay
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> http://pwscf.org/mailman/listinfo/pw_forum
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Mr. Filippo SPIGA, M.Sc.
http://filippospiga.info
ll try this on more using another system this
> week.
>
> Best regards
> Kai
>
>
> From: pw_forum-boun...@pwscf.org [mailto:pw_forum-boun...@pwscf.org] On
> Behalf Of Filippo Spiga
> Sent: Sunday, January 25, 2015 11:07 PM
> To: PWSCF Forum
> Cc: <q-e-deve
hat you can avoit lot of troubles by avoiding ScalaPACK
at all if (2) fails in detecting a good BLAS/LAPACK installed in your system
HTH
F
--
Mr. Filippo SPIGA, M.Sc.
http://filippospiga.info ~ skype: filippo.spiga
«Nobody will drive us out of Cantor's paradise.» ~ David Hilbert
*
Disclaim
e or copying for disclosure is strictly prohibited. The fact that this
> e-mail has been scanned by Trendmicro Interscan does not guarantee that
> it has not been intercepted or amended nor that it is virus-free.
>
>
> ___
> Pw_forum m
ew Year's eve and New Year's Day.
Cheers,
Filippo
--
Mr. Filippo SPIGA, M.Sc.
http://filippospiga.info ~ skype: filippo.spiga
«Nobody will drive us out of Cantor's paradise.» ~ David Hilbert
*
Disclaimer: "Please note this message and any attachments are CONFIDENTIAL and
may be privile
hat the problem is...
>
> Thanks for your help,
>
> regards,
>
> Mohammad
>
> On Mon, Dec 29, 2014 at 4:32 PM, Filippo Spiga <spiga.fili...@gmail.com>
> wrote:
> Dear Mohamad,
>
> did you have CUDA installed under /usr/local or /lib64 ? Anyway, libcuda*.so
ic-intel -o iotk_print_kinds.x iotk_print_kinds.o libiotk.a
> -L/lib64 -lcublas -lcufft -lcudart
> ld: cannot find -lcublas
> ld: cannot find -lcufft
> ld: cannot find -lcudart
> make[2]: *** [iotk_print_kinds.x] Error 1
> make[2]: Leaving directory
> `/usr/local/codes/espr
esearch Student - Computational Chemistry/ Computational Material Science
> Theoretical and Computational Chemistry
> Dept. of Chemistry
> Kwame Nkrumah UNiversity of Sci. and Tech.
> Kumasi
> Ghana
>
> Tel: +233 243-055-717
>
> Alt Email: elliotsmen...@gmail.com
>
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>
> ___________
> Pw_forum mailing list
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> http://pwscf.org/mailman/listinfo/pw_forum
--
Mr. Filippo SPIGA, M.Sc.
http://filippospiga.info ~ skype: filippo.spiga
«Nobody
anbegin.a(fmain.o): In
> function `main':
> (.text+0x26): undefined reference to `MAIN__'
>
> But, still I am facing problem,
> I don't know where I am lacking.
> Could you help me to solve this problem?
>
> Thanks & Regards
> Jaikumar S
>
>
> On Thu, Oct 30,
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