The WeNMR (http://www.wenmr.eu) project is an EU-funded international effort to streamline and automate structure determination from Nuclear Magnetic Resonance (NMR) data. Conventionally calculation of structure requires the use of various softwares, considerable user expertise and ample computational resources. To facilitate the use of NMR spectroscopy in life sciences the eNMR/WeNMR consortium has set out to provide protocolized services through easy-to-use web interfaces, while still retaining sufficient flexibility to handle more specific requests. Thus far, a

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The INFN Tier-1 located at CNAF in Bologna (Italy) is a center of the WLCG e-Infrastructure, supporting the 4 major LHC collaborations and more than 30 other INFN-related experiments. After multiple tests towards elastic expansion of CNAF compute power via Cloud resources (provided by Azure, Aruba and in the framework of the HNSciCloud project), and building on the experience gained with the production quality extension of the Tier-1 farm on remote owned sites, the CNAF team, in collaboration with experts from the ALICE, ATLAS, CMS, and LHCb experiments, has been working to put in production a solution of an integrated HTC+HPC system with the PRACE CINECA center, located nearby Bologna. Such extension will be implemented on the Marconi A2 partition, equipped with Intel Knights Landing (KNL) processors. A number of technical challenges were faced and solved in order to successfully run on low RAM nodes, as well as to overcome the closed environment (network, access, software distribution, … ) that HPC systems deploy with respect to standard GRID sites. We show preliminary results from a large scale integration effort, using resources secured via the successful PRACE grant N. 2018194658, for 30 million KNL core hours.

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The INFN Tier-1 center at CNAF has been extended in 2016 and 2017 in order to include a small amount of resources (∼ 22 kHS06 corresponding to ∼ 10% of the CNAF pledges for LHC in 2017) physically located at the Bari-ReCas site (∼ 600 km distant from CNAF). In 2018, a significant fraction of the CPU power (∼ 170 kHS06, equivalent to ∼ 50% of the total CNAF pledges) is going to be provided via a collaboration with the PRACE Tier-0 CINECA center (a few km from CNAF), thus building a truly geographically distributed (WAN) center. The two sites are going to be interconnected via an high bandwidth link (400-1200 Gb/s), in order to ensure a transparent access to data residing on CNAF storage; the latency between the centers is small enough not to require particular caching strategies. In this contribution we describe the issues and the results of the production configuration, focusing both on the management aspects and on the performance provided to end-users.