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Bug #3099

compiler flags missing from the log report

Added by Szilárd Páll 28 days ago. Updated 23 days ago.

Status:
Closed
Priority:
Normal
Assignee:
Category:
mdrun
Target version:
Affected version - extra info:
Affected version:
Difficulty:
uncategorized
Close

Description

$ bin/gmx --version | tail -n25
Command line:
  gmx --version

GROMACS version:    2020-dev-20190919-8a0f78f0d9-dirty
GIT SHA1 hash:      8a0f78f0d9dd7f658161ffe96051fa69867b5651 (dirty)
Branched from:      9319ec3919ac774ebbdba03d011f5edd53ea6310 (3 newer local commits)
Precision:          single
Memory model:       64 bit
MPI library:        thread_mpi
OpenMP support:     enabled (GMX_OPENMP_MAX_THREADS = 64)
GPU support:        OpenCL
SIMD instructions:  AVX2_256
FFT library:        fftw-3.3.8-sse2-avx-avx2-avx2_128
RDTSCP usage:       enabled
TNG support:        enabled
Hwloc support:      disabled
Tracing support:    disabled
C compiler:         /usr/bin/gcc-8 GNU 8.2.0
C compiler flags:    -O3 -DNDEBUG
C++ compiler:       /usr/bin/g++-8 GNU 8.2.0
C++ compiler flags:  -O3 -DNDEBUG
OpenCL include dir: /usr/include
OpenCL library:     /usr/lib/x86_64-linux-gnu/libOpenCL.so
OpenCL version:     2.2

As a comparison this is how the 2019 version ifo looks like:

$ ../../gromacs-19/build_gcc8_ocl/bin/gmx --version | tail -n25
Command line:
  gmx --version

GROMACS version:    2019.2-dev-20190409-a7150695b-dirty
GIT SHA1 hash:      a7150695b83abb847eb463b6145227e5ca2d6225 (dirty)
Branched from:      ffd89ba478399970597a35aa31e2eb253b0a3f20 (2 newer local commits)
Precision:          single
Memory model:       64 bit
MPI library:        thread_mpi
OpenMP support:     enabled (GMX_OPENMP_MAX_THREADS = 64)
GPU support:        OpenCL
SIMD instructions:  AVX2_256
FFT library:        fftw-3.3.8-sse2-avx-avx2-avx2_128-avx512
RDTSCP usage:       enabled
TNG support:        enabled
Hwloc support:      disabled
Tracing support:    disabled
C compiler:         /usr/bin/gcc-8 GNU 8.2.0
C compiler flags:    -mavx2 -mfma    -Werror=stringop-truncation -Wundef -Wextra -Wno-missing-field-initializers -Wno-sign-compare -Wpointer-arith -Wall -Wno-unused -Wunused-value -Wunused-parameter  -O3 -DNDEBUG -funroll-all-loops -fexcess-precision=fast  -Wno-array-bounds 
C++ compiler:       /usr/bin/g++-8 GNU 8.2.0
C++ compiler flags:  -mavx2 -mfma    -std=c++11  -Wstringop-truncation -Wextra -Wno-missing-field-initializers -Wpointer-arith -Wmissing-declarations -Wall  -O3 -DNDEBUG -funroll-all-loops -fexcess-precision=fast  -Wno-array-bounds 
OpenCL include dir: /usr/include
OpenCL library:     /usr/lib/x86_64-linux-gnu/libOpenCL.so
OpenCL version:     2.2

Associated revisions

Revision 18f223d2 (diff)
Added by Mark Abraham 25 days ago

Fixes to broken CUDA compiler flags

Because FindCUDA.cmake is non-idiomatic CMake, recent changes to CUDA
compilation lost most of our custom compilation options for host code.
These are now restored.

Compilation options for build configurations deriving from the Release
build configuration are also restored.

Refs #3099

Change-Id: If030a256481faed425379dab00ea658e3c215867

Revision 8ff984a3 (diff)
Added by Mark Abraham 23 days ago

Fix log file flag output

Fixes #3099

Change-Id: I5049e8807b87c83959a0a2a5b3439b904d5edc8b

History

#1 Updated by Mark Abraham 28 days ago

This fix has been in gerrit waiting for review for a month https://gerrit.gromacs.org/c/gromacs/+/12445, which presumably addresses the issue

#2 Updated by Mark Abraham 28 days ago

  • Status changed from New to Fix uploaded
  • Assignee set to Mark Abraham

#3 Updated by Szilárd Páll 28 days ago

Mark Abraham wrote:

This fix has been in gerrit waiting for review for a month https://gerrit.gromacs.org/c/gromacs/+/12445, which presumably addresses the issue

Non-CUDA flags are missing as well, that change refers to CUDA flags.

I will try to find time to review it, but not this week. There ought to be others less busy than the current people tagged (Artem and me) who could pitch in, I'd hope.

#4 Updated by Mark Abraham 24 days ago

The aforementioned patch fixed the setup of the flags. https://gerrit.gromacs.org/c/gromacs/+/13289 fixes the output for the log file

#5 Updated by Szilárd Páll 24 days ago

Mark Abraham wrote:

The aforementioned patch fixed the setup of the flags. https://gerrit.gromacs.org/c/gromacs/+/13289 fixes the output for the log file

CUDA host flags are still incomplete:

$ bin/gmx --version
[...]
GROMACS version:    2020-dev-20190924-7ba9f666ed
GIT SHA1 hash:      7ba9f666ed4faa580700a6cc44c56e25fb86f517
Branched from:      80dc7bdacccbdb6241fd33ef0f038ebe0f6e133f (1 newer local commits)
Precision:          single
Memory model:       64 bit
MPI library:        thread_mpi
OpenMP support:     enabled (GMX_OPENMP_MAX_THREADS = 64)
GPU support:        CUDA
SIMD instructions:  AVX2_256
FFT library:        fftw-3.3.7-sse2-avx
RDTSCP usage:       enabled
TNG support:        enabled
Hwloc support:      disabled
Tracing support:    disabled
C compiler:         /usr/bin/gcc-8 GNU 8.3.0
C compiler flags:   -mavx2 -mfma -Wall -Wno-unused -Wunused-value -Wunused-parameter -Wextra -Wno-missing-field-initializers -Wno-sign-compare -Wpointer-arith -Wundef -Werror=stringop-truncation -fexcess-precision=fast -funroll-all-loops -fopenmp
C++ compiler:       /usr/bin/g++-8 GNU 8.3.0
C++ compiler flags: -mavx2 -mfma -Wall -Wextra -Wno-missing-field-initializers -Wpointer-arith -Wmissing-declarations -Wundef -Wstringop-truncation -fexcess-precision=fast -funroll-all-loops -fopenmp
CUDA compiler:      /opt/cuda/10.1.105/bin/nvcc nvcc: NVIDIA (R) Cuda compiler driver;Copyright (c) 2005-2019 NVIDIA Corporation;Built on Fri_Feb__8_19:08:17_PST_2019;Cuda compilation tools, release 10.1, V10.1.105
CUDA compiler flags:-std=c++14;-gencode;arch=compute_52,code=sm_52;-use_fast_math;-D_FORCE_INLINES;; 
CUDA driver:        0.0
CUDA runtime:       N/A

#6 Updated by Mark Abraham 23 days ago

  • Status changed from Fix uploaded to Resolved

#7 Updated by Paul Bauer 23 days ago

  • Status changed from Resolved to Closed

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