Hi Eyal,

Do you overwrite fingerprints of images? If yes, then there is a single file that occupies almost 400 GB, right? If not, can you give us an idea of how many images are there in a 25 pico-seconds MD run? How much space on disk each image fingerprint prime takes?

Regards,
Alireza

On Sun, Jul 22, 2018 at 4:38 AM, Eyal Oren <[log in to unmask]> wrote:
Hi all,

How much of disk space should I expect the fingerprints data-bases to require? The training phase was fine in this regard but afterwards when I ran MD my storage got eaten as is, i.e. 25 pico-seconds of 1024 atoms MD run expanded the directory "/amp-fingerprint-primes.ampdb" to almost 400 GB. Now I can't even use "amp-compress" because there is not enough space in the disk left for the operation. Do I miss here something? (I'll admit I don't quite sure why should an MD run would create fingerprints in the first place).

Confused,
Thanks