GROMACS compile error

User discussions
1

GROMACS version: 2019.4
GROMACS modification: Yes/No

Dear gromacs users,

I have tried to install the gromacs-2019.4 version that I used in another system.
But when I issue the command below
cmake .. -DGMX_BUILD_OWN_FFTW=ON \ -DREGRESSIONTEST_DOWNLOAD=OFF \ -DGMX_GPU=ON \ -DCUDA_TOOLKIT_ROOT_DIR=/apps/cuda/10.0 \ -DGMX_MPI=ON \ -DGMX_SIMD=AVX2_256 \ -DCMAKE_INSTALL_PREFIX=/home01/x2051a02/apps/gromacs-2019.4-plumed-build \ -DREGRESSIONTEST_PATH=/home1/x2051a02/apps/regressiontests-2019.4/

AND The CMake error occured
REGRESSIONTEST_PATH invalid. The path needs to contain gmxtest.pl.

So I used the other option below
cmake … -DGMX_BUILD_OWN_FFTW=ON \
-DREGRESSIONTEST_DOWNLOAD=ON
-DGMX_GPU=ON
-DCUDA_TOOLKIT_ROOT_DIR=/apps/cuda/10.0
-DGMX_MPI=ON
-DGMX_SIMD=AVX2_256
-DCMAKE_INSTALL_PREFIX=/home01/x2051a02/apps/gromacs-2019.4-plumed-build

Then I got the erorr message below:

CMake Error at tests/CMakeLists.txt:57 (message):
error: downloading
‘http://gerrit.gromacs.org/download/regressiontests-2019.4.tar.gz’ failed

status_code: 7

status_string: “Couldn’t connect to server”

log: Trying 130.237.25.133…

TCP_NODELAY set

Connected to gerrit.gromacs.org (130.237.25.133) port 80 (#0)

GET /download/regressiontests-2019.4.tar.gz HTTP/1.1

Host: gerrit.gromacs.org

User-Agent: curl/7.60.0

Accept: /

HTTP/1.1 302 Found

Date: Thu, 24 Sep 2020 02:06:47 GMT

Server: Apache/2.4.18 (Ubuntu)

Location:
ftp://ftp.gromacs.org/regressiontests/regressiontests-2019.4.tar.gz

Content-Length: 335

Content-Type: text/html; charset=iso-8859-1

Ignoring the response-body

[335 bytes data]

Connection #0 to host gerrit.gromacs.org left intact

Issue another request to this URL:
‘ftp://ftp.gromacs.org/regressiontests/regressiontests-2019.4.tar.gz’

Trying 130.237.25.126...

TCP_NODELAY set

connect to 130.237.25.126 port 21 failed: Connection timed out

Failed to connect to ftp.gromacs.org port 21: Connection timed out

Closing connection 1

How do I solve this problem???

Thank you for advanced :)

2

I just checked and the download that is failing for you seems to be working fine for me. This might have multiple issues, but two most likely ones are

  • a temporary issue on the server side
  • a firewall that does not allow you to download

A quick-fix last resort option is to disable the regressiontests in CMake, though I would not recommend.

3

Also, have a look at this topic, which is almost identical: