NB647010-25-02250 Statement of Work.pdf

STATEMENT OF WORK

TITLE: Quantum Chemistry Optimized Server

NB647010-25-02250

I. BACKGROUND INFORMATION

The Thermodynamics Research Center Group of the Material Measurement Laboratory, Division 647, is actively involved in the development of quantitative thermodynamic property prediction methods using both computational quantum chemistry and molecular dynamics. Our current computational infrastructure for these calculations consists of hardware that cannot meet FIPS 140-2 data encryption requirements for all data at rest at NIST. Because these servers are intended for high-performance computing, only a hardware encryption scheme supported by BIOS is suitable for the storage. This requires an upgrade of both the storage devices and the motherboards, which can only be achieved by replacing these servers.

II. SCOPE OF WORK

The Contractor shall provide one (1) high-performance quantum chemistry server that meets the following minimum technical requirements. The Contractor is required to test the system before delivery, but the Contractor is not required to perform the installation.

III. SPECIFICATIONS

The vendor shall provide one(1) Quantum Chemistry computational server specifically optimized for the calculations that require up to 2304 Terabyte of RAM. The vendor must benchmark CPU performance.

The server must also be supplied with ports for two SFP+ fiber optic ethernet ports, a TPM 2.0 module, and FIPS 140-2 or FIPS 140-3 compliant encrypted storage. The server shall be rack-mountable in standard 19-inch computer equipment racks.

Quantum Chemistry optimized server The Quantum Chemistry optimized server must provide all of the following capabilities:

• A dual socket motherboard populated with two CPUs. Each CPU will meet the following minimum specifications (AMD EPYC™ 9355 or better):

o At least 32 cores or more capable of running at least 64 simultaneous independent execution threads o Base clock rate of 3.55 GHz or faster o Memory bandwidth of 576 GB/s per socket or faster o PCI Express® with a minimum version of PCIe 5.0 o Must implement the amd64/ia64t instruction set.

o Implementation of very wide vector instructions (“AVX512”) is required.

o Default Thermal Design Power (TDP) must not exceed 320 W

• Memory totaling 2304 GBytes or higher of registered ECC RAM, rated at DDR5-6400 MHz or faster. Memory must fill all 24 memory channels (24 x 96 Gbyte structure) to maximize CPU memory access efficiency.

• (scratch) 4 x 3.2 TByte or larger disk storage space provided by PCIe 4.0 NVMe SSDs, rated at 6,800 MB/s sequential read rate or faster and 5,600 MB/s sequential write rate or faster. Storage will be implemented on two U.3 form factor NVMe drives. All solid-state drives must have a rated endurance of at least three (3) DWPD for a 5-year warranty period. (for example: 4x Micron 7500 MAX 3.2TB 2.5in NVMe PCIe 4.0 Enterprise SSD - 3DWPD).

Must be FIPS 140-2 or FIPS 140-3 compliant.

• (OS) 2x 800 GB or larger disk storage space provided by PCIe 4.0 NVMe SSDs, rated at 6,800 MB/s sequential read rate or faster and 5,600 MB/s sequential write rate or faster. Storage will be implemented on two U.3 form factor NVMe drives. All solid-state drives must have a rated endurance of at least three (3) DWPD for a 5-year warranty period. (for example: 2x Micron 7500 MAX 800GB 2.5in NVMe PCIe 4.0 Enterprise SSD - 3DWPD).

Must be FIPS 140-2 or FIPS 140-3 compliant.

• At least two fiber-optic Ethernet ports provided by an SFP+ connector and rated at 10 Gb/s or faster. These ports may be provided by the motherboard or by an accessory card.

• A motherboard capable of driving the CPUs, RAM, and other peripherals at their full rated speed.

• (1U) A chassis housing all the components, able to operate on 208V single-phase electrical power, with sufficient power to drive all the specified devices at their full rated speeds. The chassis must be a rackmount chassis and may not exceed 1U in height. The chassis must also include redundant, hot-swappable power supplies rated 80 PLUS gold or higher. The chassis must include rack-mount rails and hardware for standard 19-inch computer equipment racks.

• All hardware must operate correctly at full-rated speed in the Linux operating system, under kernel version 5.15 or later.

• The contractor must complete burn-in testing of all components prior to delivery.

• The node chassis must be delivered fully assembled.

• The Ubuntu 24.04 LTS Linux operating system is required.

• Burn-in testing must include full load on all cores.

• TPM 2.0 module must be provided.

• NO power cables are needed.

Installation:

NIST staff will be responsible for server room installation, setup and testing. The contractor shall provide phone support as needed by NIST staff during installation and for the duration of the three-year warranty period.

Warranty:

The Contractor shall provide, at a minimum, a three-year warranty for all hardware. The warranty shall cover all parts and shipping costs. The warranty shall commence upon successful completion of delivery and installation of all required equipment. At least one optional warranty year shall be provided.

Training:

N/A

IV. PERIOD OF PERFORMANCE

The period of performance shall be 60 days from award of this requirement.

V. PLACE OF PERFORMANCE

N/A

VI. GOVERNMENT FURNISHED PROPERTY

N/A

VII. DELIVERABLES

Description Quantity Due Date Quantum Chemistry Optimized Server One (1) 60 days after award of this requirement.

VIII. ACCEPTANCE CRITERIA

Server will be installed and tested with 30 days of delivery. Testing will cover all technical specifications.

GENERAL INFORMATION

Safety: The Contractor employee shall be responsible for knowing and complying with commercial installation safety prevention regulations. Such regulations include, but are not limited to, general safety, fire prevention, and waste disposal.

Security: NIST is a restricted campus. An identification badge is required for access for entry into buildings and also is shown to the armed Security Police when entering the campus.

Identification Badges: Contractor employees shall comply with NIST identification and access requirements. The Contractor shall provide the name and citizenship information of employees for on-site visits to the NIST SME prior to arrival. The SME will submit the name(s) and citizenship information to the NIST Office of Security in order for a given Contractor employee to enter the NIST campus. The Contractor employee is responsible for absences due to missing or expired identification and access documents. Each Contractor employee shall wear a visible identification badge provided by the NIST Security Office.

Vehicle Registration: All Contractor employees must register their vehicles with the NIST Security Office to gain access to the campus. A valid driver’s license, Government-furnished civilian ID (which in most cases can be a valid driver's license), proof of insurance and current registration must be presented to the NIST Security Office.