[ccp4bb] Two-year postdoctoral position in time-resolved crystallography at IBS in Grenoble

2023-12-22 Thread Elke De Zitter
Dear all, We have an immediate opening for a two-year postdoctoral researcher in SNaX team of the DYNAMOP group at the Institute for Structural Biology in Grenoble (France). The successful candidate will work on the development and optimization of bio-scavengers towards toxic organophosphorus

[ccp4bb] Postdoc opportunity at the PSI of Switzerland.

2023-12-22 Thread Panneels Valérie
Dear Colleagues, The Laboratory of Biomolecular Research at the Paul Scherrer Institute (PSI), Switzerland, is advertising for a Postdoc position from the NanoArgovia Programm of the Swiss Nanoscience Institute (SNI). This project is granted for one year and extendable to 2 years. The project

[ccp4bb] Relion issue with MPI

2023-12-22 Thread Srivastava, Dhiraj
Hi I am trying to use relion and I am getting error when trying to use mpi (for 3d classification and 3D auto-refine). ERROR: out of memory in /home/lvantol/relion5/relion/src/acc/cuda/custom_allocator.cuh at line 436 (error-code 2) in: /home/lvantol/relion5/relion/src/acc/cuda/cuda_settings.

Re: [ccp4bb] Relion issue with MPI

2023-12-22 Thread Takanori Nakane
Hi, First of all, please report details of your hardware and your job. - Type of GPU - Number of GPU - GPU memory size - Box size - Number of threads - Number of MPI processes - Full command line Do you get the same error in ALL datasets (including our tutorial dataset) or only on this particul

Re: [ccp4bb] CCP4BB Digest - 21 Dec 2023 to 22 Dec 2023 (#2023-324) (out of office)

2023-12-22 Thread Elisabeth Laurent
Thank you for your e-mail. I am out of office until January 2nd, 2024. I will respond to your e-mail as soon as possible upon my return. For urgent matters please contact: b...@boku.ac.at Thank you for your understanding. With kind regards, Elisabeth Laurent >>> CCP4BB automatic digest system 2

Re: [ccp4bb] [External] Re: [ccp4bb] Relion issue with MPI

2023-12-22 Thread Srivastava, Dhiraj
It was reported by me but the problem was not solved. I thought ccp4bb has much bigger user base and may be someone has experienced this issue. It is something related to os (rocky linux) or mpi in my computer. Data set is not a problem as i can process same data set with exactly same parameters

Re: [ccp4bb] [External] Re: [ccp4bb] Relion issue with MPI

2023-12-22 Thread Suparno
Try separating the MPI process and threads. For example if you have 4 GPUs, use 0,1:2,3. You can do this in ‘Which GPUs to use’ under compute tab. Additionally, use a scratch directory and do not put particles in RAM. You can skip padding and gridding as well. Hope this helps! Suparno. Sent f