On 30.12.2020 18:13, mkondrin wrote:
$ls /usr/include/xc*
xc.hxc_f90_lib_m.modxc_funcs.h xc_funcs_removed.h
xc_funcs_worker.h xc_version.hxcb/
xc_90... is in place, xc_f03.. is nowhere to be found.
I believe that this is an error in libxc library. I have also tr
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Dear Rahul Verma,
I would try the serial version first. Can you reconfigure and compile
with the additional option
--disable-parallel
and check if the misbehavior persists?
Best regards,
Pietro
On 12/31/20 7:50 AM, Rahul Verma wrote:
I have installed GPU enables QE package in a Volta V100
Hi Users,
I have been trying to install quantum espresso v 6.5, but I am getting the
following error:
/var/folders/_r/c2m4m9y94tbfbfzfjflm82y4gn/T//ccq9E9id.s:2399:19:
error: expected 'sxtx' 'uxtx' or 'lsl' with optional integer in range [0, 4]
add x0, x1, x19, uxtw 2
It's a problem of your machine, not of QE
Paolo
On Thu, Dec 31, 2020 at 10:59 AM Arka Prava Sarkar <
sarkar.arkaprava...@gmail.com> wrote:
> Hi Users,
> I have been trying to install quantum espresso v 6.5, but I am getting the
> following error:
> /var/folders/_r/c2m4m9y94tbfbfzfjflm82y4gn/
Dear QuantumEspresso users,
I am trying to calculate the maximally localised wannier functions of
defective bilayer graphene using quantumEspresso and Wannier90 codes,
however I am getting a band gap of about 40 to 60 meV for pristine bilayer
graphene using a variety of NCPP+LDA and NCPP+PBE, th
Hi Pietro,
I have tried with configure option --disable-parallel but now, I am
getting message passing error..
*** error in Message Passing (mp) module ***
*** error code: 9035
I have also changed the cuda version to 10.2 from 11.1 but the error is same.
> Dear Rahul Verma,
>
> I would try
Hi Paolo,
I solved the problem by making a change in make.inc
CPP = gcc -E
It was suggested by Pietro Delugas in a similar problem.
Thanks and Regards,
অর্ক প্রভ সরকার
Arka Prava Sarkar
Research Scholar
Centre for Computational and Data Sciences (CCDS)
Indian Institute of Technology, Kharagpur
W
Dear Rahul,
that is useful, you can lookup error codes of type 9xxx here:
https://docs.nvidia.com/cuda/cuda-runtime-api/group__CUDART__TYPES.html#group__CUDART__TYPES_1g3f51e3575c2178246db0a94a430e0038
and you'll find
cudaErrorInsufficientDriver = 35
This indicates that the installed NVIDI
Hi Pietro,
Thank you but, as per this this article
https://docs.nvidia.com/deploy/cuda-compatibility/index.html
NVIDIA driver version 418 is compatible with cuda version 10.1 and 10.2.
Following the output from the command "nvidia-smi"
+--
Dear Rahul,
that seems indeed to be the case and I can only guess that the
environment seen by QE is different.
It's easy to check, can you compile and run this trivial program?
program ma
implicit none
integer, device :: a(1000)
integer :: i
a=1
!$cuf kernel do
do i=1,1000
a(i)=2
enddo
end
Hi Pietro,
I tried to compile the program with two different cuda version (10.2 and
11.1) and I got the following error ..
$ pgf90 -Mcuda=cc70,cuda11.0 test.f90
$ ./a.out
0: ALLOCATE: 4000 bytes requested; not enough memory: 35(CUDA driver
version is insufficient for CUDA runtime version)
$ pgf
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