BJWiley23

Sure I will try it. I am going to try a few namd tutorials probably before I get to it since I got it compiled. Thanks!

I actually got same results, i.e. calling using BEDPE gives same peaks as calling using BAMPE, with calling `randsample`instead of `bamtobed` on both the bam with and without `samtools view...

How do you source 2 things from workflow such as if you want to create a string from 2 strings?

I am also getting this in the cuda image `nvidia/cuda:10.1-devel-ubuntu18.04` with CUDA version 10.1 and running with 2 V100 Tesla GPUs. Sorry I only get the hanging issue in #186...

Here is my Dockerfile. I am running on LSF as well. ``` FROM nvidia/cuda:10.1-devel-ubuntu18.04 RUN apt-get update && DEBIAN_FRONTEND=noninteractive apt-get install -y wget check libssl-dev git build-essential devscripts debhelper fakeroot...

So I tried making with `make DEVICE=GPU NUMWI=128 TARGETS=70` for the V100s but it still hangs. Is there by any chance a docker image already created that I could test?

Well I tried with `nvcr.io/hpc/autodock:2020.06` and `nvcr.io/hpc/autodock:2020.06-x86_64` even with 296GB RAM and get a seg fault: ``` $ /opt/AutoDock-GPU/bin/autodock_gpu_128wi -ffile 1hsg.maps.fld -lfile indinavir.pdbqt AutoDock-GPU version: 09773678fc7e39677061d765b767f4bae8930fb7-dirty CUDA Setup time 0.261890s...

Yes on my docker image the code hangs indefinitely.

I just checked again with Nvidia's image `nvcr.io/hpc/autodock:2020.06-x86_64` and realized my map files got screwed up transferring from person computer to LSF storage so this actually works. My image doesn't...

May or may not be related but I had to set `LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/path/to/htslib` in order to run MethyDackel.