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munmap_chunk(): invalid pointer

2

Hi APBS developers, **Describe the bug** I ran APBS using a PDB file for a protein complex. But APBS was aborted and got the following error message. How to fix...

yuntaoyang

Hello APBS developers, I would like to point out two bugs that I came across. I was testing it on a simple molecule ALA-ASP-ASP-ALA to write out the atom potentials...

srihas29

Mac OS X makes static linking difficult

2

Unfortunately, this still seems to be an issue in the 3.4.1 release. ``` Performing C SOURCE FILE Test Intl_IS_BUILT_IN failed with the following output: Change Dir: /tmp/apbs-20220926-39068-n0ircz/build/CMakeFiles/CMakeTmp Run Build Command(s):/opt/homebrew/bin/gmake...

sobolevnrm

Hi, I'm trying to find APBS v1.4.1 since this seem to be the last version with OpenMP enabled by default (see issue #7), please tell me if this assumption is...

josemunozc

Docker build fails

1

``` #6 348.0 --2022-08-06 22:48:51-- http://glaros.dtc.umn.edu/gkhome/fetch/sw/metis/metis-5.1.0.tar.gz #6 348.0 Resolving glaros.dtc.umn.edu (glaros.dtc.umn.edu)... 160.94.40.33 #6 348.3 Connecting to glaros.dtc.umn.edu (glaros.dtc.umn.edu)|160.94.40.33|:80... failed: Connection refused. ------ executor failed running [/bin/sh -c apt-get update &&...

sobolevnrm

The application was unable to start correctly (0xc000007b)

2

I am trying to use the CaFE Plugin for VMD to calculate the free binding energy for a protein-protein complex. One of the prerequisites for the plugin is APBS. I...

christos-efthymiou

cmake error

7

**Error** I am following the instructions to build APBS from source found [here](https://apbs.readthedocs.io/en/latest/getting/source.html#get-source-directly-from-github). When I run `cmake ..` I get the following error: ``` CMake Error at /usr/share/cmake-3.16/Modules/FindPackageHandleStandardArgs.cmake:146 (message): Could...

FranceCosta

Add Python and GPU Boundary-integral solver for electrostatics (PyGBe) to APBS

2

**Is your feature request related to a problem? Please describe.** We would like to add PyGBe to APBS to provide a new solver for scientific users **Describe the solution you'd...

intendo

Similarity Tool

9

While I am able to successfully use the similarity tool over a range of small molecules, when going beyond a grid size of 65 (for the input DX files), for...

sbembenek18

`apbs/_version.py` should read VERSION to set the version.

nsoblath