No I dont have the solution yet
Sincerely Aziz Fall
On Sun, Dec 30, 2018 at 11:22 AM Shishir Timilsena
wrote:
> have u got the solution
>
> On Sat, Dec 29, 2018 at 4:14 AM Aziz Fall wrote:
>
>> Dear Quantum Espresso team,
>>
>> does anyone still have any id
Dear Quantum Espresso team,
does anyone still have any ideas?
Sincerely Aziz Fall
On Thu, Dec 6, 2018 at 4:18 PM Aziz Fall wrote:
> Dear Quantum espresso team,
>
> I have been trying to run a band structure calculation of CrI3, I was able
> to successfully run the scf file, bu
tion along with the bands.in file any help
will be greatlly appreciated.
Thank You,
Sincerely Aziz Fall
crI3.band.in
Description: Binary data
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Dear Tone Kokalj,
Thank You very much
Sincerely Aziz Fall
On Sun, Nov 4, 2018 at 5:02 AM Tone Kokalj wrote:
> Dear Aziz
>
> Note that xcrysden is not able to parse "crystal_sg" coordinates in the
> pw.x input file. Do a "dry" pw.x run on your input and the
-writing the file just in case there were some weird hidden
characters in the file, but that does not seem to work. Any help would be
very much appreciated.
Thank You again,
Sincerely Aziz Fall.
On Wed, Oct 31, 2018 at 5:11 AM Pietro Davide Delugas
wrote:
> Dear Aziz
>
> you can use the
appreciated. I have
attached both my scf and cif files below.
Thank You,
Sincerely Aziz Fall
crI3_scf.in
Description: Binary data
sd_0308014.cif
Description: CIF chemical test
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https
outdir is
the same on all my files, I even tried the -i after the executable that was
suggested on the mailing list, but none of those things fixed my problem.
Does anyone have any suggestions for how to solve my problem.
Thank You,
Sincerely Aziz Fall
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I solved the problem, it was just that I did not download libopenmpi-dev.
Thanks for the reply
Sincerely Aziz Fall
On Fri, Aug 10, 2018 at 2:54 AM, Pietro Delugas wrote:
> Dear Aziz
>
> is seems to be the typical behavior that usually occurs when part of the
> code was compil
Dear Quantum espresso team, I am Aziz Fall from the University of Michigan
Ann Arbor, I am getting an issue specifically when I call mpirun with more
than 1 core. When I run it with just 1 core I have no issues, but when I
specify more than 1 core on my 32 core machine I get the following error
so does anyone have any ideas I have checked for any compiler issues, like
libraries compiled from different sources, but I still get the same seg
fault, I even switched to a previous implementation of Quantum espresso but
the issues still persist
On Wed, Aug 8, 2018 at 2:02 PM, Aziz Fall wrote
which is 6.3?
Sincerely Aziz Fall
On Wed, Aug 8, 2018 at 1:46 PM, Natalie Holzwarth wrote:
> As I mentioned in a previous entry, we have been experiencing the same
> very intermittent error for both pw.x and ph.x .We have no ideas about
> the origin except that it seems to b
7F5967EC0830 __libc_start_main Unknown Unknown
pw.x 00407429 Unknown Unknown
Unknown
does anyone have any ideas, that would greatly help with my project.
Sincerely Aziz Fall
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yeah both my mpiifort and mpif90 are from intel. where do I find the
psxevars.sh file
On Tue, Aug 7, 2018 at 9:57 PM, Ye Luo wrote:
> /usr/lib/libblacsCinit-openmpi.so.1 seems belong to libblacs-openmpi1
> package in ubuntu.
> This indicates you have openmpi and blacs installed from the package
yeah unfortunately I get the same error again, sorry if this is taking up
your time
On Tue, Aug 7, 2018 at 9:40 PM, Aziz Fall wrote:
> ok thanks I will try it and let you know, hopefully I dont run into any
> issues this time
>
> On Tue, Aug 7, 2018 at 9:37 PM, Y
for pw.
>> I never have issue with make -j 16 pw. For other target, you can try
>> parallel compilation but may have some dependency not well maintained.
>>
>> Ye
>>
>> ===
>> Ye Luo, Ph.D.
>> Leadership Computing Facility
>>
yeah so the problem persist even after changing the MPIF90 flag
On Tue, Aug 7, 2018 at 8:55 PM, Aziz Fall wrote:
> I noticed that after I reconfigured and I looked at my make.inc file, my
> MPI_LIBS and LAPACK_LIPS paths that I specified beforehand were erased,
> will this affect
.
On Tue, Aug 7, 2018 at 8:41 PM, Aziz Fall wrote:
> ok I'll try that and let you know
>
> On Tue, Aug 7, 2018 at 8:28 PM, Ye Luo wrote:
>
>> Your mpi wrapper mpif90 is using gfortran underneath from the ldd pw.x
>> output.
>> Could you add MPIF90=mpiifort in y
roblem.
> Ye
>
>
> ===
> Ye Luo, Ph.D.
> Leadership Computing Facility
> Argonne National Laboratory
>
> 2018-08-07 19:24 GMT-05:00 Aziz Fall :
>
>> no I am using the same machine for the build and run, its a workstation
>> with 32 cores
>>
>> On Tue, Au
ational Laboratory
>
> 2018-08-07 19:18 GMT-05:00 Aziz Fall :
>
>> ok so regardless of whether I run pw.x with mpirun or not I get the same
>> error saying pw.x: symbol lookup error: /usr/lib/libblacsCinit-openmpi.so.1:
>> undefined symbol: ompi_mpi_comm_world
el studio folder since you said you are using Intel MPI.
> Ye
>
> ===
> Ye Luo, Ph.D.
> Leadership Computing Facility
> Argonne National Laboratory
>
> 2018-08-07 19:07 GMT-05:00 Aziz Fall :
>
>> yeah so when I type ldd pw.x I get the followin
=> /usr/lib/x86_64-linux-gnu/libquadmath.so.0
(0x7ffecebc)
I am not sure I know what to make of this though, do you have an idea by
any chance?
Sincerely Aziz Fall
On Tue, Aug 7, 2018 at 7:48 PM, Ye Luo wrote:
> $ldd pw.x.
> What prints out?
> It seems that /usr/lib/libblacsCin
so I changed the options in configure like you suggested with the
--with-scalapack=intel but I still get the same error after re-compiling.
Do you have any further suggestions?
On Tue, Aug 7, 2018 at 6:22 PM, Aziz Fall wrote:
> No, I did not add that configuration as part of configure but I
/intel/impi/2018.3.222/lib64/ -lmpi, is that not
enough or should I configure it again with the exact options
--with-scalapack=intel?
Thank You,
Sincerely Aziz Fall
On Tue, Aug 7, 2018 at 6:04 PM, Ye Luo wrote:
> That seems for openmpi.
> Did you put --with-scalapack=intel when you run con
/lib:/opt/intel/compilers_and_libraries_2018.3.222/linux/daal/lib/intel64_lin:/opt/intel/compilers_and_libraries_2018.3.222/linux/daal/../tbb/lib/intel64_lin/gcc4.4
any help will be highly appreciated. Thanks in advanced
Sincerely Aziz Fall
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