[QE-users] [ge-GPU] compiling q-e-gpu-qe-gpu-6.7
Mohammad Moaddeli
mohammad.moaddeli at gmail.com
Wed Dec 16 09:10:47 CET 2020
Dear all,
I am trying to compile the 6.7 version of the code using PGI 2020.
I followed these steps:
*1) NVIDIA driver (NVIDIA-Linux-x86_64-450.80.02.rpm) is installed.*
*the output of nvidia-smi:*
Wed Dec 16 09:07:11 2020
+-----------------------------------------------------------------------------+
| NVIDIA-SMI 450.80.02 Driver Version: 450.80.02 CUDA Version: 11.0
|
|-------------------------------+----------------------+----------------------+
| GPU Name Persistence-M| Bus-Id Disp.A | Volatile Uncorr.
ECC |
| Fan Temp Perf Pwr:Usage/Cap| Memory-Usage | GPU-Util Compute
M. |
| | | MIG
M. |
|===============================+======================+======================|
| 0 TITAN V Off | 00000000:06:00.0 Off |
N/A |
| 27% 37C P0 32W / 250W | 0MiB / 12066MiB | 0%
Default |
| | |
N/A |
+-------------------------------+----------------------+----------------------+
| 1 TITAN V Off | 00000000:07:00.0 Off |
N/A |
| 25% 37C P0 35W / 250W | 0MiB / 12066MiB | 0%
Default |
| | |
N/A |
+-------------------------------+----------------------+----------------------+
+-----------------------------------------------------------------------------+
| Processes:
|
| GPU GI CI PID Type Process name GPU
Memory |
| ID ID Usage
|
|=============================================================================|
| No running processes found
|
+-----------------------------------------------------------------------------+
*The output of pgaccelinfo:*
CUDA Driver Version: 11000
NVRM version: NVIDIA UNIX x86_64 Kernel Module 450.80.02
Wed Sep 23 01:13:39 UTC 2020
Device Number: 0
Device Name: TITAN V
Device Revision Number: 7.0
Global Memory Size: 12652838912
Number of Multiprocessors: 80
Concurrent Copy and Execution: Yes
Total Constant Memory: 65536
Total Shared Memory per Block: 49152
Registers per Block: 65536
Warp Size: 32
Maximum Threads per Block: 1024
Maximum Block Dimensions: 1024, 1024, 64
Maximum Grid Dimensions: 2147483647 x 65535 x 65535
Maximum Memory Pitch: 2147483647B
Texture Alignment: 512B
Clock Rate: 1455 MHz
Execution Timeout: No
Integrated Device: No
Can Map Host Memory: Yes
Compute Mode: default
Concurrent Kernels: Yes
ECC Enabled: No
Memory Clock Rate: 850 MHz
Memory Bus Width: 3072 bits
L2 Cache Size: 4718592 bytes
Max Threads Per SMP: 2048
Async Engines: 7
Unified Addressing: Yes
Managed Memory: Yes
Concurrent Managed Memory: Yes
Preemption Supported: Yes
Cooperative Launch: Yes
Multi-Device: Yes
Default Target: cc70
Device Number: 1
Device Name: TITAN V
Device Revision Number: 7.0
Global Memory Size: 12652838912
Number of Multiprocessors: 80
Concurrent Copy and Execution: Yes
Total Constant Memory: 65536
Total Shared Memory per Block: 49152
Registers per Block: 65536
Warp Size: 32
Maximum Threads per Block: 1024
Maximum Block Dimensions: 1024, 1024, 64
Maximum Grid Dimensions: 2147483647 x 65535 x 65535
Maximum Memory Pitch: 2147483647B
Texture Alignment: 512B
Clock Rate: 1455 MHz
Execution Timeout: No
Integrated Device: No
Can Map Host Memory: Yes
Compute Mode: default
Concurrent Kernels: Yes
ECC Enabled: No
Memory Clock Rate: 850 MHz
Memory Bus Width: 3072 bits
L2 Cache Size: 4718592 bytes
Max Threads Per SMP: 2048
Async Engines: 7
Unified Addressing: Yes
Managed Memory: Yes
Concurrent Managed Memory: Yes
Preemption Supported: Yes
Cooperative Launch: Yes
Multi-Device: Yes
Default Target: cc70
*2) PGI compiler is installed:*
*yum install nvhpc-20-11-20.11-1.x86_64.rpm nvhpc-2020-20.11-1.x86_64.rpm*
*PATHs that are set in ~/.bashrc file:*
export PATH=/opt/nvidia/hpc_sdk/Linux_x86_64/20.11/cuda/11.1/bin:$PATH
export PATH=/opt/nvidia/hpc_sdk/Linux_x86_64/20.11/cuda/11.1/include:$PATH
export
LD_LIBRARY_PATH=/opt/nvidia/hpc_sdk/Linux_x86_64/20.11/cuda/11.1/lib64:$LD_LIBRARY_PATH
export
LD_LIBRARY_PATH=/opt/nvidia/hpc_sdk/Linux_x86_64/20.11/cuda/11.1/extras/CUPTI/lib64:$LD_LIBRARY_PATH
export
LD_LIBRARY_PATH=/opt/nvidia/hpc_sdk/Linux_x86_64/20.11/cuda/11.1/lib64/stubs:$LD_LIBRARY_PATH
NVARCH=`uname -s`_`uname -m`; export NVARCH
NVCOMPILERS=/opt/nvidia/hpc_sdk; export NVCOMPILERS
MANPATH=$MANPATH:$NVCOMPILERS/$NVARCH/20.11/compilers/man; export MANPATH
PATH=$NVCOMPILERS/$NVARCH/20.11/compilers/bin:$PATH; export PATH
PATH=$NVCOMPILERS/$NVARCH/20.11/compilers/include:$PATH; export PATH
LD_LIBRARY_PATH=$NVCOMPILERS/$NVARCH/20.11/compilers/lib:$PATH; export
LD_LIBRARY_PATH
export PATH=/opt/nvidia/hpc_sdk/Linux_x86_64/20.11/comm_libs/mpi/bin:$PATH
export
PATH=/opt/nvidia/hpc_sdk/Linux_x86_64/20.11/comm_libs/mpi/include:$PATH
export
LD_LIBRARY_PATH=/opt/nvidia/hpc_sdk/Linux_x86_64/20.11/comm_libs/mpi/lib:$LD_LIBRARY_PATH
export
LD_LIBRARY_PATH=/opt/nvidia/hpc_sdk/Linux_x86_64/20.11/math_libs/11.1/lib64:$LD_LIBRARY_PATH
export
LD_LIBRARY_PATH=/opt/nvidia/hpc_sdk/Linux_x86_64/20.11/math_libs/11.1/lib64/stubs:$LD_LIBRARY_PATH
*3) compiling the code using:*
*./configure FC=pgf90 F90=pgf90 F77=pgf90 CC=pgcc MPIF90=mpif90
--with-cuda=/opt/nvidia/hpc_sdk/Linux_x86_64/20.11/cuda
--with-cuda-runtime=11.1 --with-cuda-cc=70 --enable-openmp
--with-scalapack=no*
checking build system type... x86_64-pc-linux-gnu
checking ARCH... x86_64
checking setting AR... ... ar
checking setting ARFLAGS... ... ruv
checking whether the Fortran compiler works... yes
checking for Fortran compiler default output file name... a.out
checking for suffix of executables...
checking whether we are cross compiling... no
checking for suffix of object files... o
checking whether we are using the GNU Fortran compiler... no
checking whether pgf90 accepts -g... yes
configure: WARNING: F90 value is set to be consistent with value of MPIF90
checking for mpif90... mpif90
checking whether we are using the GNU Fortran compiler... no
checking whether mpif90 accepts -g... yes
checking version of mpif90... nvfortran 20.11-0
checking for Fortran flag to compile .f90 files... none
setting F90... nvfortran
setting MPIF90... mpif90
checking whether we are using the GNU C compiler... yes
checking whether pgcc accepts -g... yes
checking for pgcc option to accept ISO C89... none needed
setting CC... pgcc
setting CFLAGS... -fast -Mpreprocess
using F90... nvfortran
setting FFLAGS... -O1
setting F90FLAGS... $(FFLAGS)
setting FFLAGS_NOOPT... -O0
setting CPP... cpp
setting CPPFLAGS... -P -traditional -Uvector
setting LD... mpif90
setting LDFLAGS...
checking for Fortran flag to compile .f90 files... (cached) none
checking whether Fortran compiler accepts -Mcuda=cuda11.1... yes
checking for nvcc...
/opt/nvidia/hpc_sdk/Linux_x86_64/20.11/compilers/bin/nvcc
checking whether nvcc works... no
configure: WARNING: CUDA compiler has problems.
checking for cuInit in -lcuda... no
configure: error: in `/codes/qe_6.7_GPU/q-e-gpu-qe-gpu-6.7':
configure: error: Couldn't find libcuda
See `config.log' for more details
*Any Help will be greatly appreciated.*
*P.S.*
*When I run nvcc in terminal, the following error appears:*
$ which nvcc
/opt/nvidia/hpc_sdk/Linux_x86_64/20.11/compilers/bin/nvcc
$ nvcc
nvcc-Error-CUDA version 10.2 was not installed with this HPC SDK:
/opt/nvidia/hpc_sdk/Linux_x86_64/20.11/cuda/10.2/bin
*Best,*
*Mohammad Moaddeli*
*Shiraz University*
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