购买服务器的适配和性价比咨询（主用MD，偶尔QM/MM）

sun877469558

购置服务器目的：使用频率从上往下：MD模拟（Amber），QM/MM（chemshell）,少量DFT，简单的机器学习

按照sob老师极高性能分子动力学服务器推荐配置，根据商家调整如下
单路
CPU：AMD Ryzen9 9950x 散价格3580
主板: 技嘉B650M AORUS ELITE 小雕 价格990
散热器：超频3CPU风扇 RZ620 BK 黑 双塔6热管价格310
硬盘：希捷 银河企业级 8TB 256MB 7200rpm 价格1290
显卡：技嘉4090D WINDFORCE 24G 价格18150
内存：金士顿FURY 32GB DDR5-5600 *2 价格1098
电源：鑫谷1250W 金牌全模组 价格560
机箱：鑫谷机箱 探云CS1 幻夜黑 价格240
MK120 套件 价格78
这一套大概26000多

双路
CPU：AMD 7763 2.45G 64核*2
散热器：金钱豹M99 SP3*2
主板：技嘉MZF2-AC0支持4卡*1
内存：32G DDR4 3200 RECC*8
机箱：定制塔式11槽位 4GPU
电源：长城黑匣子2600W*1
系统盘：致钛7100PLUS 2TB+8T企业盘
显卡：NVIDIA 4090 24G*2
这一套大概85000多

双路服务器比单路的贵了好多，是买两个单路的呢，还是直接双路，如果是双路的，有什么可以改进的，可以适当加预算。

恳请各位大佬指导！

科学计算

sun877469558 发表于 2025-7-13 19:05
请您过目一下，这个可以么？

这个配置不是专业的厂商配置的，一看就是拼凑出来的。长期稳定使用，建议找专业的服务商，他们的平台配置稳定可靠。

David_R

tonganlhy 发表于 2025-7-14 09:33
机箱太小，放不小两个显卡，要换大一点的。电源看看有没有2500W及以上的。cpu和显卡的tdp已经1600W，2000 ...

I agree with the suggestion to use turbo cards - they are loud but much smaller, taking up only two expansion card slots. Many of the RTX4090 cards take up more than 3 slots, which makes it very difficult to fit more than one of them in a case (or on the MZ73-LM1 board).

I would have thought a 2000W power supply would be enough, provided it is good quality. A titanium-rated 1600W PSU can handle a CPU at 850W and a single 4090 without problems.

I also note that I've actually never come across a workload that requires all 450W power draw on the 4090 - that includes 3D rendering in Blender, training/inferencing ML models (including LLMs), MD (GROMACS and OpenMM), and even the GPU stress test gpu_burn. I've only ever seen a maximum of about 350W on Ubuntu.

David_R

alanmei 发表于 2025-7-13 15:38
The frequency depends on the software. For different instructions, the same frequency CPU requires ...

Ah, yes, that is an important consideration. Actually I haven't used the 9654 system for any AVX512 workloads, so I hadn't had direct experience with that.

abin

sun877469558 发表于 2025-7-13 19:02
http://sobereva.com/444

出自sob老师的5 顶级双路服务器推荐配置

我先后经手过8台 9654双路服务器,
不同批次处理器,
不同批次/不同品牌主板,

运行cp2k/vasp, 未观测到满负荷情况下, CPU核心可以持续3.55GHz稳定工作; 会在2.7 GHz到3.7 GHz之间来回跳动.

ADM自己写的技术术语是: All Core Boost Speed, 通俗理解为,瞬时(短时间)频率峰值可达....

tonganlhy

sun877469558 发表于 2025-7-13 19:05
请您过目一下，这个可以么？

机箱太小，放不小两个显卡，要换大一点的。电源看看有没有2500W及以上的。cpu和显卡的tdp已经1600W，2000W的电源压不太住，牌子也换个好一点的，比如长城、振华等等。4090可以考虑用涡轮卡抽风。商家的维保要谈好。

sun877469558

tonganlhy 发表于 2025-7-13 11:27
如果你要在这个配置上加两个及以上显卡，建议还是找商家配准系统吧。
这个配置加显卡的几个问题：
1.机 ...

请您过目一下，这个可以么？

sun877469558

David_R 发表于 2025-7-13 14:32
This motherboard has 4 PCI-e slots, but you can only fit single-slot devices side-by-side in them. ...

Thank you for your reply.

sun877469558

abin 发表于 2025-7-13 13:30
是哪位专家说的，
AMD 9654满载可以3.55GHz？

http://sobereva.com/444

出自sob老师的5 顶级双路服务器推荐配置

alanmei

David_R 发表于 2025-7-13 14:28
Dual EPYC 9654 should have no problem maintaining max boost clock on all cores. My dual socket 9654Q ...

The frequency depends on the software. For different instructions, the same frequency CPU requires different power. For example, SSE is generally considered light-load, while AVX/AVX2 are considered heavy-load. For AVX512 of Zen4, it consumes almost the same power as AVX2.

David_R

sun877469558 发表于 2025-7-13 10:59
sob老师，

最终考虑了一下，还是觉得课题组使用的话，双路的可能会好点

This motherboard has 4 PCI-e slots, but you can only fit single-slot devices side-by-side in them. There is not an easy solution for installing four graphics cards: you'll need to use risers and install at least some of them externally. I expect that installing two GPUs is possible, provided that there is enough room in the case.

Indeed, adding GPUs will require a more powerful power supply, or perhaps a second one.

David_R

Dual EPYC 9654 should have no problem maintaining max boost clock on all cores. My dual socket 9654QS system runs continuously at 3.5 GHz all-core under load.

abin

是哪位专家说的，
AMD 9654满载可以3.55GHz？

这不是做梦吗？

sun877469558

tonganlhy 发表于 2025-7-13 11:27
如果你要在这个配置上加两个及以上显卡，建议还是找商家配准系统吧。
这个配置加显卡的几个问题：
1.机 ...

谢谢您哈

tonganlhy

sun877469558 发表于 2025-7-13 10:59
sob老师，

最终考虑了一下，还是觉得课题组使用的话，双路的可能会好点

如果你要在这个配置上加两个及以上显卡，建议还是找商家配准系统吧。
这个配置加显卡的几个问题：
1.机箱不够大。614pc对于双路都比较紧张，你还要加两张或者4张显卡，难度很大。
2.电源不够大。两个cpu已经800w了，1200都已经有点吃紧。
同泰怡和超微都有准系统的解决方案，你可以咨询一下。