Effective debugging of Prefilter::ungapped_sse_score(). about hh-suite HOT 4 CLOSED

I would reduce your database to just the one entry that fails and print out all score of Smax of the x86_64 version and the ppc64le and diff them.

You can do this by removing all other entries from the ffindex file.

grep ^FAIL_ENTRY_ID YOUDB_cs219.ffindex > YOUDB_cs219.new.ffindex 
mv YOUDB_cs219.ffindex YOUDB_cs219.old.ffindex
mv YOUDB_cs219.new.ffindex  YOUDB_cs219.ffindex  

from hh-suite.

I'm sorry but it's not clear to me. I am using command "hhblits -i /tmp/hh-results/1.fasta -d /root/hh-suite/dbs/scop70_1.75 -n 1 -oa3m /tmp/hh-results/1.a3m -o /tmp/hh-results/1.hhr -cpu 1" to test. So what should be the "FAIL_ENTRY_ID" vaule? Here's sample output of this command:

• 19:16:46.501 INFO: Searching 13730 column state sequences.
• 19:16:46.601 INFO: /tmp/hh-results/1.fasta is in A2M, A3M or FASTA format
• 19:16:46.601 INFO: Iteration 1
• 19:16:48.914 INFO: Prefiltering database
• 19:16:48.914 INFO: ATUL: before adding pseudocounts, 0
• 19:16:51.219 INFO: ATUL: before prefilter_db
• 19:16:51.219 INFO: ATUL: in HHblitsDatabase::prefilter_db
• 19:16:51.219 INFO: ATUL: in Prefilter::prefilter_db
• 19:16:51.246 INFO: ATUL: num_dbs: 13730
• 19:16:51.246 INFO: ATUL: calling ungapped_sse_score (1)
• 19:16:51.246 INFO: ATUL: in Prefilter::ungapped_sse_score

Thanks!

Mit freundlichen Grüßen,
Atul.

from hh-suite.

You mentioned a difference in score after the ungapped_see_score stage. My script reduces the database to only one entry. FAIL_ENTRY_ID is the ID of the entry that has the produces the wrong score (205 instead of 79).

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Since the power8 port is finished, I assume that this issue can be closed?

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