Hello all!
I compiled the most recent hh-suite from source and am using the pdb database from the RosettaFold-All Atom (RFAA) install (https://github.com/baker-laboratory/RoseTTAFold-All-Atom) which looks like a custom database they built that does include the _a3m.ffindex and _a3m.ffdata. RFAA also has version 3.3 of hhsearch from what I can tell, but wanted to redownload just in case. When I was running RFAA, I was getting this seg fault, so I popped out the command to run it on the new install of hh-suite.
10:23:06.172 INFO: 7qxr/A/t000_.msa0.ss2.a3m is in A2M, A3M or FASTA format
10:23:07.056 INFO: Searching 153500 database HHMs without prefiltering
10:23:07.121 INFO: Iteration 1
10:23:07.221 INFO: Scoring 153500 HMMs using HMM-HMM Viterbi alignment
10:23:07.853 INFO: Alternative alignment: 0
Segmentation fault (core dumped)
I'm on a server with the following compute specs:
Dell PowerEdge R750XA
dual 24-core/48-thread CPUs
512 GB RAM
2 NVIDIA Ampere A100 GPUs w/80GB onboard RAM each
Hello all! I compiled the most recent hh-suite from source and am using the pdb database from the RosettaFold-All Atom (RFAA) install (https://github.com/baker-laboratory/RoseTTAFold-All-Atom) which looks like a custom database they built that does include the _a3m.ffindex and _a3m.ffdata. RFAA also has version 3.3 of hhsearch from what I can tell, but wanted to redownload just in case. When I was running RFAA, I was getting this seg fault, so I popped out the command to run it on the new install of hh-suite.
My command is this: ../hh-suite/build/bin/hhsearch -b 50 -B 500 -z 50 -Z 500 -mact 0.05 -cpu 12 -maxmem 64 -aliw 100000 -e 100 -p 5.0 -d pdb100_2021Mar03/pdb1002021Mar03 -i 7qxr/A/t000.msa0.ss2.a3m -o 7qxr/A/t000.hhr -atab 7qxr/A/t000.atab -v 2
And my full output is this:
Segmentation fault (core dumped)
I'm on a server with the following compute specs: Dell PowerEdge R750XA dual 24-core/48-thread CPUs 512 GB RAM 2 NVIDIA Ampere A100 GPUs w/80GB onboard RAM each
Thank you so much for your help!!