Job description Site Name: USA - Pennsylvania - Upper Providence Posted Date: Oct 18 2019 Details: GSKs Scientific Computing groups mission is to accelerate the path to successful medicines by ensuring that access to and ability to use computational resources is never a barrier to scientific research. The group is responsible for researching, developing and deploying state of the art computational resources and expertise across all GSK R&D sites worldwide. There is a specific focus on rapid development, scale up and deployment of computational technologies, including both hardware and software, for executing on GSKs strategy for ensuring new drug candidates are explicitly designed to be developed. The Senior Manager of Scientific Computing Infrastructure will be responsible for helping to define and implement the scientific computing solutions necessary to ensure GSK scientists have access to state-of-the-art computational resources. This role will require close collaboration with business partners and stakeholders across all R&D disciplines to determine both current and future infrastructure needs. Working closely with the Director of Scientific Computing Infrastructure the candidate will be responsible for planning, deploying and managing a diverse portfolio of HPC compute resources, high-end Linux workstations, storage and application servers across all major US, UK and satellite sites. They will also be responsible for developing solutions, in collaboration with researcher staff, to extend the capabilities of vendor, internal and academic code, maintaining the current software/OS/hardware environment, directing efforts of in-house and contracted support staff as well as aiding efforts to architect the continued evolution of a cutting-edge scientific computing environment. The successful candidate will require world class expertise in high performance computing, storage management and batch schedulers. Extensive experience architecting large scale systems and demonstrated experience managing heterogeneous cluster resources in a diverse software environment as well as supporting scientists from a wide range of disciplines is required. Expertise in scientific computing and an understanding of computational simulation and modelling is essential. They will require a solution driven mindset and the ability to quickly understand complex scientific problems, to architect, optimize and deploy software and hardware solutions to satisfy continually evolving requirements. Duties And Responsibilities: Works with the Director of Scientific Computing Infrastructure to best define the strategic plans for both in-house and cloud-based computational resources to support GSKs R&D strategy. Leads a collaborative research plan to develop, evaluate and test new methodologies in line with the strategy of ensuring design of developable candidates. Manages external support contracts and supervises complementary workers, to include project assignments, reviewing procedures and results, and providing systems level guidance; maintains effective problem resolution procedures. Maintains a comprehensive knowledge of state-of-the-art computing systems and peripherals; computer operating systems; and scalable parallel architectures. Works closely with computer hardware and software vendors to maintain a comprehensive understanding of industry trends and evolving technology. Leads the provisioning of advanced scientific programming, database and systems support for high performance scientific computing and Linux workstation environments. This includes the installation, integration and management of high performance computing systems, operating systems, software, peripherals, and system interfaces. Works with scientists to develop solutions and implement workflows for computational problems. Provides expertise when needed to ensure that the high-performance computing environment is operating at optimal performance and reliability levels. Occasional domestic and international travel. Performs other job-related duties as assigned. Basic Qualifications: Advanced degree in mathematics, engineering, computational or life sciences. Ability to think outside the box, quickly developing, constructing and deploying computational environments and associated solutions within a rapidly evolving R&D environment. A broad understanding of the pharma R&D process and the ability to work closely with computational scientists to rapidly research, develop and implement solutions to their computational needs. Expert knowledge with the design and deployment of large compute clusters including GPU and ASIC based systems, high-speed networking, scientific storage solutions, rack management software, object storage and global and parallel file system provisioning. World class expertise in high performance computing, systems management, experience architecting large scale systems and demonstrated experience transforming scientific computing prototypes into large scale productized solutions for R&D. Experience gathering and writing technical specifications for procurement of computational clusters based on scientific and research requirements, determining acceptance criteria for hardware, benchmarking novel computational hardware and software to determine feasibility and cost effectiveness for research in drug discovery. Experience with the deployment and use of VMs, web servers, license managers/servers, database servers and job schedulers, preferably with expertise in pharma specific applications. Strong proficiency with shell scripting, and common programming languages (Python, Perl, Fortran, C, C++, CUDA etc). Deep understanding of deployment of complex Anaconda, R and modules environments. Expert in management and advanced utilization of batch scheduling systems, primarily slurm. Ability to work independently, make time critical decisions and rapidly problem solve. Fresh perspective on approaches to supporting computational resources for R&D with a researcher-first system design awareness. Preferred qualifications: Extensive (5+ years) direct experience in scientific computing, algorithm and software development. Extensive (5+ years) experience designing, procuring, deploying and managing leadership class high performance computing systems. Experience (2+ years) managing computational infrastructure support teams including supervising external contractors and consultants and associated agreements. Ability to work effectively with multiple groups and diverse skill sets across all scientific domains. Skilled in clearly and concisely communicating complex computational solutions and systems-related issues to non-technical scientists and other stakeholders Knowledge of pharmaceutical drug discovery and development. Aware of, but not constrained by todays approaches. A strong desire to research, develop and test new computational approaches. Inquisitive, creative and bold. Disruptive and innovative thinker that can deliver results. Ability to work and thrive in an extremely energetic, intellectual, fast-paced environment. Excellent interpersonal abilities, demonstrated inclusivity, flexibility and a history of working collaboratively in a team environment. Comfortable with risk, willing to fail, learn from it, and move on. Not scared to propose novel, cost effective, out of the box solutions. Expert level experience managing a wide array of filesystems, especially ZFS on Linux. Experience with the diverse pharmaceutical and computational chemistry software landscapes including software suites from Schrodinger, Chemical Computing Group, OpenEye etc. Experience working with and supervising external contractors and consultants.
