[AMBER] Installation Amber22 failed

From: Freddy Bernal via AMBER <amber.ambermd.org>
Date: Fri, 27 Jan 2023 16:05:25 +0100

Dear Amber experts,

I have tried to install Amber22 without success. We recently acquired
the license, so it is the first time I tried the
installation process. However, I have experience working in Ubuntu
(using other software packages for molecular modeling). Anyhow,
here the details:

OS: Ubuntu 20.04.5 LTS

Failure by miniconda environment installation (as can be seen below,
some commands are not found in the sh script). It happened in
two different workstations (with the same OS). Both machines work fine
with many different applications.

Could you please help me? I have followed all the instructions in
https://ambermd.org/InstUbuntu.php before extracting from the
tar.bz2 files and running ./run_cmake (as also indicated in the manual).

As an additional option, I created a conda environment for amber and
tried again the run_cmake disabling the -DDOWNLOAD_MINICONDA
flag in the script, but it also led to an error.


Output run_cmake:

--
**************************************************************************
-- Starting configuration of Amber version 22.0.0...
-- CMake Version: 3.25.2
-- For how to use this build system, please read this wiki:
-- http://ambermd.org/pmwiki/pmwiki.php/Main/CMake
-- For a list of important CMake variables, check here:
-- http://ambermd.org/pmwiki/pmwiki.php/Main/CMake-Common-Options
--
**************************************************************************
-- Setting C compiler to gcc
-- Setting CXX compiler to g++
-- Setting Fortran compiler to gfortran
-- Amber source found, building AmberTools and Amber
-- The C compiler identification is GNU 9.4.0
-- The CXX compiler identification is GNU 9.4.0
-- The Fortran compiler identification is GNU 9.4.0
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Check for working C compiler: /usr/bin/gcc - skipped
-- Detecting C compile features
-- Detecting C compile features - done
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Check for working CXX compiler: /usr/bin/g++ - skipped
-- Detecting CXX compile features
-- Detecting CXX compile features - done
-- Detecting Fortran compiler ABI info
-- Detecting Fortran compiler ABI info - done
-- Check for working Fortran compiler: /usr/bin/gfortran - skipped
-- Testing if stdlib.h can be included...
-- Testing if stdlib.h can be included... yes
-- Performing Test CMAKE_HAVE_LIBC_PTHREAD
-- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Failed
-- Looking for pthread_create in pthreads
-- Looking for pthread_create in pthreads - not found
-- Looking for pthread_create in pthread
-- Looking for pthread_create in pthread - found
-- Found Threads: TRUE
-- Found CUDA: /usr/local/cuda (found version "11.2")
-- Downloading Python 3 Miniconda
-- Detected Linux OS. Downloading the Linux installer
-- Using 64 bit miniconda
Downloading
http://repo.continuum.io/miniconda/Miniconda3-latest-Linux-x86_64.sh ->
/home/tga_user/AmberInstallation/amber22_src/build/CMakeFiles/miniconda/download/Miniconda3-latest-Linux-x86_64.sh
--2023-01-27 15:40:08--
http://repo.continuum.io/miniconda/Miniconda3-latest-Linux-x86_64.sh
Resolving repo.continuum.io (repo.continuum.io)... 104.18.201.79,
104.18.200.79, 2606:4700::6812:c94f, ...
Connecting to repo.continuum.io (repo.continuum.io)|104.18.201.79|:80...
connected.
HTTP request sent, awaiting response... 301 Moved Permanently
Location:
https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-x86_64.sh
[following]
--2023-01-27 15:40:08--
https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-x86_64.sh
Resolving repo.anaconda.com (repo.anaconda.com)... 104.16.130.3,
104.16.131.3, 2606:4700::6810:8303, ...
Connecting to repo.anaconda.com (repo.anaconda.com)|104.16.130.3|:443...
connected.
HTTP request sent, awaiting response... 200 OK
Length: 72402405 (69M) [application/x-sh]
Saving to:
‘/home/tga_user/AmberInstallation/amber22_src/build/CMakeFiles/miniconda/download/Miniconda3-latest-Linux-x86_64.sh’
0K .......... ....50K .......... .......... .......... .......... .......... 0% 3,60M 18s
100K .......... .......... .......... .......... .......... 0% 12,9M 14s
150K .......... .......... .......... .......... .......... 0% 9,43M 12s
200K .......... .......... .......... .......... .......... 0% 5,43M 12s
250K .......... .......... .......... .......... .......... 0% 14,6M 11s
300K .......... .......... .......... .......... .......... 0% 12,9M 10s
350K .......... .......... .......... .......... .......... 0% 9,02M 10s
400K .......... .......... .......... .......... .......... 0% 8,89M 10s
...
70300K .......... .......... .......... .......... .......... 99% 15,7M
0s
70350K .......... .......... .......... .......... .......... 99% 15,7M
0s
70400K .......... .......... .......... .......... .......... 99% 25,9M
0s
70450K .......... .......... .......... .......... .......... 99% 19,6M
0s
70500K .......... .......... .......... .......... .......... 99% 17,3M
0s
70550K .......... .......... .......... .......... .......... 99% 19,7M
0s
70600K .......... .......... .......... .......... .......... 99% 22,0M
0s
70650K .......... .......... .......... .......... .......... 99% 15,4M
0s
70700K ..... 100% 32,8M=4,3s
2023-01-27 15:40:12 (16,2 MB/s) -
‘/home/tga_user/AmberInstallation/amber22_src/build/CMakeFiles/miniconda/download/Miniconda3-latest-Linux-x86_64.sh’
saved
[72402405/72402405]
Installing Miniconda Python.
PREFIX=/home/tga_user/AmberInstallation/amber22_src/build/CMakeFiles/miniconda/install
Unpacking payload ...
Extracting : cryptography-38.0.1-py310h9ce1e76_0.conda: 0%| | 0/43
[0Extracting : cryptography-38.0.1-py310h9ce1e76_0.conda: 2%|▏
| 1/43 [0Extracting : pycosat-0.6.4-py310h5eee18b_0.conda: 2%|▏ | 1/43
[00:00<0Extracting :
ruamel.yaml.clib-0.2.6-py310h5eee18b_1.conda: 5%|▍ | 2/43Extracting :
pysocks-1.7.1-py310h06a4308_0.conda: 7%|▋ | 3/43
[00:00<0Extracting : tqdm-4.64.1-py310h06a4308_0.conda: 9%|▉ | 4/43
[00:00<00:Extracting : tqdm-4.64.1-py310h06a4308_0.conda:
12%|█▏ | 5/43 [00:00<00:Extracting : sqlite-3.40.0-h5082296_0.conda:
12%|█▏ | 5/43 [00:00<00:02,Extracting :
urllib3-1.26.13-py310h06a4308_0.conda: 14%|█▍ | 6/43 [00:00Extracting :
libgcc-ng-11.2.0-h1234567_1.conda: 16%|█▋ | 7/43
[00:00<00:Extracting : openssl-1.1.1s-h7f8727e_0.conda: 19%|█▊ | 8/43
[00:00<00:02Extracting : idna-3.4-py310h06a4308_0.conda:
21%|██ | 9/43 [00:00<00:02,Extracting : python-3.10.8-h7a1cb2a_1.conda:
23%|██▎ | 10/43 [00:00<00:02Extracting :
python-3.10.8-h7a1cb2a_1.conda: 26%|██▌ | 11/43 [00:00<00:01Extracting :
libuuid-1.41.5-h5eee18b_0.conda: 26%|██▌ | 11/43
[00:00<00:0Extracting : ncurses-6.3-h5eee18b_3.conda: 28%|██▊ | 12/43
[00:00<00:01, Extracting :
conda-22.11.1-py310h06a4308_4.conda: 30%|███ | 13/43 [00:00<Extracting :
charset-normalizer-2.0.4-pyhd3eb1b0_0.conda: 33%|███▎ |
14/43Extracting : toolz-0.12.0-py310h06a4308_0.conda: 35%|███▍ | 15/43
[00:00<0Extracting :
ruamel.yaml-0.17.21-py310h5eee18b_0.conda: 37%|███▋ | 16/43 [Extracting
: libffi-3.4.2-h6a678d5_6.conda: 40%|███▉ | 17/43
[00:00<00:00,Extracting : ca-certificates-2022.10.11-h06a4308_0.conda:
42%|████▏ | 18/43Extracting :
pyopenssl-22.0.0-pyhd3eb1b0_0.conda: 44%|████▍ | 19/43 [00:00<Extracting
: conda-package-handling-1.9.0-py310h5eee18b_1.conda:
47%|████▋ Extracting : tzdata-2022g-h04d1e81_0.conda: 49%|████▉ | 21/43
[00:00<00:00,Extracting : tk-8.6.12-h1ccaba5_0.conda:
51%|█████ | 22/43 [00:00<00:00, 26Extracting :
ld_impl_linux-64-2.38-h1181459_1.conda: 53%|█████▎ | 23/43
[00:Extracting :
libstdcxx-ng-11.2.0-h1234567_1.conda: 56%|█████▌ | 24/43
[00:00Extracting : certifi-2022.12.7-py310h06a4308_0.conda: 58%|█████▊ |
25/43 [00Extracting : _openmp_mutex-5.1-1_gnu.conda: 60%|██████ | 26/43
[00:00<00:00,Extracting :
conda-content-trust-0.1.3-py310h06a4308_0.conda: 63%|██████▎ |
2Extracting : bzip2-1.0.8-h7b6447c_0.conda: 65%|██████▌ | 28/43
[00:00<00:00, Extracting : pluggy-1.0.0-py310h06a4308_1.conda: 67%|██████▋
| 29/43 [00:00<0Extracting :
brotlipy-0.7.0-py310h7f8727e_1002.conda: 70%|██████▉ | 30/43
[00Extracting : libgomp-11.2.0-h1234567_1.conda: 72%|███████▏ | 31/43
[00:00<00:0Extracting : cffi-1.15.1-py310h5eee18b_3.conda: 74%|███████▍
| 32/43 [00:00<00Extracting : xz-5.2.8-h5eee18b_0.conda:
77%|███████▋ | 33/43 [00:00<00:00, 26.Extracting :
requests-2.28.1-py310h06a4308_0.conda: 79%|███████▉ | 34/43
[00:0Extracting :
_libgcc_mutex-0.1-main.conda: 81%|████████▏ | 35/43 [00:00<00:00,
Extracting : setuptools-65.5.0-py310h06a4308_0.conda:
84%|████████▎ | 36/43 [00Extracting : readline-8.2-h5eee18b_0.conda:
86%|████████▌ | 37/43 [00:00<00:00,Extracting :
pycparser-2.21-pyhd3eb1b0_0.conda: 88%|████████▊ | 38/43
[00:00<00Extracting : zlib-1.2.13-h5eee18b_0.conda: 91%|█████████ |
39/43
[00:00<00:00, Extracting : pip-22.3.1-py310h06a4308_0.conda:
93%|█████████▎| 40/43 [00:00<00:Extracting
:
six-1.16.0-pyhd3eb1b0_1.conda: 95%|█████████▌| 41/43
[00:00<00:00,Extracting : wheel-0.37.1-pyhd3eb1b0_0.conda:
98%|█████████▊|
42/43 [00:00<00:0
Installing base environment...
Downloading and Extracting Packages
Downloading and Extracting Packages
Preparing transaction: ...working... done
Executing transaction: ...working... done
Installing * environment...
/home/tga_user/AmberInstallation/amber22_src/build/CMakeFiles/miniconda/download/Miniconda3-latest-Linux-x86_64.sh:
438: [[: not
found
/home/tga_user/AmberInstallation/amber22_src/build/CMakeFiles/miniconda/download/Miniconda3-latest-Linux-x86_64.sh:
444: [[: not
found
CondaFileIOError:
'/home/tga_user/AmberInstallation/amber22_src/build/CMakeFiles/miniconda/install/pkgs/envs/*/env.txt'.
[Errno 2]
No such file or directory:
'/home/tga_user/AmberInstallation/amber22_src/build/CMakeFiles/miniconda/install/pkgs/envs/*/env.txt'
CMake Error at cmake/UseMiniconda.cmake:138 (message):
Miniconda installer failed! Please fix what's wrong, or disable
Miniconda.
Call Stack (most recent call first):
cmake/PythonInterpreterConfig.cmake:63 (download_and_use_miniconda)
CMakeLists.txt:121 (include)
-- Configuring incomplete, errors occurred!
See also
"/home/tga_user/AmberInstallation/amber22_src/build/CMakeFiles/CMakeOutput.log".
See also
"/home/tga_user/AmberInstallation/amber22_src/build/CMakeFiles/CMakeError.log".
If the cmake build report looks OK, you should now do the following:
make install
source /home/tga_user/AmberInstallation/amber22/amber.sh
Consider adding the last line to your login startup script, e.g.
~/.bashrc
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Received on Fri Jan 27 2023 - 07:30:02 PST
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