Hi Angelos and Jean-Noel,
judging from the backtrace, the problem is this: OpenMPI calls into
hwloc, hwloc calls into opencl and opencl is the AMD-provided version
of the library. For some reason, that segfaults. You will have this
problem with any MPI program, not just Espresso. I think you might be
able to work around it by setting the environment variable
HWLOC_PLUGINS_BLACKLIST=hwloc_opencl .
Other than that, installing both AMD and Nvidia graphics drivers is
calling for trouble. Both provide OpenCL and OpenGL libraries that may
conflict. I recommend uninstalling all rocm-* packages (or
alternatively, uninstall the nvidia-* packages and remove the Nvidia
card, it's no faster than your integrated AMD GPU).
Michael
On Wed, 2020-01-15 at 11:59 +0100, Jean-Noël Grad wrote:
Hi,
@Angelos do you also get an ompi_mpi_init error message if you
compile
and run a small MPI program, like the one attached?
@mkuron do you know if this is normal for espresso compiled with cuda
to
call rocm/opencl shared objects on a machine with both an AMD
chipset
and an NVIDIA GPU?
Best,
JN
On 1/15/20 11:56 AM, Jean-Noël Grad wrote:
I'm forwarding this to the mailing list as the attached backtrace
can be
useful to other people. You can click "Reply List" in your email
software to reply to address@hidden instead of me,
this
will help other maintainers following this discussion.
JN
-------- Forwarded Message --------
Subject: Re: Errors while installing ESPResSO
Date: Wed, 15 Jan 2020 11:26:44 +0200
From: Angelos Mourkas <address@hidden>
To: Jean-Noël Grad <address@hidden>
Hello again,
I did as you asked, and it detects NVIDIA graphics card and CUDA
drivers
without a problem. But when i run "make check" i have multiple
errors
and some tests that were unable to complete. I guess the MPI
service
could not be started. Also, if i try to import again espressomd
now
gives me errors. I have the errors attached.
Best Regards
Angelos Mourkas
On 14/1/20 1:08 μ.μ., Jean-Noël Grad wrote:
Hi,
According to the CMake output, the HIP compiler was selected to
compile espresso for your AMD chipset. If this is indeed what
you
intended, instructions to install the ROCm SDK can be found at
the end
of section 2.1.1. Installing requirements on Ubuntu Linux:
http://espressomd.org/html/doc/installation.html#installing-requirements-on-ubuntu-linux
If however you intended to compile espresso for the NVIDIA
graphics
card, you'll need to modify the espresso CMakeLists.txt file.
CMake
will not detect the main GPU, instead it will try all available
GPU
compilers on your system and select the first one that works, in
your
case the HIP compiler. To avoid that, please try this: in
/home/agelosmo/Desktop/Simulations/espresso/CMakeLists.txt at
line
181, replace "if(HIP_FOUND)" by "if(0)" to skip the HIP
compiler.
CMake will then try to find NVIDIA CUDA 9.0. If CMake then says
it
couldn't find a GPU compiler, it means that your installation of
NVIDIA CUDA is not properly detected by CMake.
Best regards,
JN
On 1/14/20 8:44 AM, Angelos Mourkas wrote:
Greetings Jean-Noël,
Thank you for the quick respond to my problem. Attached you can
find
two txt files with the cmake output and the make compilation
error.
Also i have attached the features error.
At the moment, i am using my nvidia card as the main graphics
card.
The log files are from 4.1 version of ESPResSO, but i had the
same
problem with 4.1.2 version.
Thank you very much for your help.
Best Regards
Angelos Mourkas
On 13/1/20 7:16 μ.μ., Jean-Noël Grad wrote:
Hi,
Compilation errors will interrupt the generation of the
Python
bindings. You might still be able to import espressomd, but
won't be
able to import its submodules. Please also note the rocrand
library
is specific to AMD graphic cards; espresso compiled for AMD
will not
execute on an NVIDIA card.
To help us diagnostic your issue, please attach a copy of
the
compilation error to your email, as well as a copy of the
CMake
output, which contains information about your compiler and
libraries, and the version of espresso you're compiling.
Best regards,
JN
On 1/13/20 1:07 PM, Angelos Mourkas wrote:
Greetings,
My name is Angelos Mourkas, a new user of ESPResSO from
Greece. I
am doing my PhD at the University of Ioannina, Department
of
Material Science and Engineering.
I have a problem in getting the program to work. I use
Ubuntu 18.04
LTS. I believe i have installed all the necessary packages
for the
program to work. I have a Ryzen 3 2200g (integrated graphic
card
vega 8) and a discrete graphic card (nvidia 1030gt). I
have
downloaded and installed nvidia drivers (this is the card i
use)
and also i have installed the cuda drivers through the
commands
from the documentation.
Everything is fine until i run the "make" command, where it
reports
an error concerning <rocrand/rocrand_kernel.h> and another
one at
EspressoCore_generated_lb_inertialess_tracers_cuda.cu.o.cma
ke:120.
If I ignore the message and continue to the python
enviroment, when
i enter the command "print(espressomd.features())" it
returns the
message
Traceback (most recent call last):
File "<stdin>", line 1, in <module>
AttributeError: module 'espressomd' has no attribute
'features'
Can you please help me installing the program?
Best Regards
Angelos Mourkas