From chemistry-request _-at-_)server.ccl.net Wed Aug 1 06:25:11 2001 Received: from mlucom8.urz.uni-halle.de ([141.48.10.118]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f71AP9525492 for ; Wed, 1 Aug 2001 06:25:11 -0400 Received: from studcom (actually studcom.urz.Uni-Halle.DE) by mlucom8.urz.uni-halle.de with lsmtp with ESMTP; Wed, 1 Aug 2001 12:24:43 +0200 Received: from bathl ([141.48.223.39]) by studcom (8.9.3 (PHNE_22672)/8.9.3) with SMTP id MAA19189; Wed, 1 Aug 2001 12:25:13 +0200 (METDST) Content-Type: Multipart/Mixed; charset="iso-8859-1"; boundary="------------Boundary-00=_LWWD7P00BXQDT5S7700N" From: Bernd Schubert To: Ha-Yeon Cheong Subject: Re: CCL:Gaussian98 source code and facility of parallel implementation Date: Wed, 1 Aug 2001 12:24:21 +0200 X-Mailer: KMail [version 1.2] References: <000001c119e2$4b851240$b5848c8b&$at$&progeny> In-Reply-To: <000001c119e2$4b851240$b5848c8b ^at^ progeny> Cc: spiske- at -chemie.uni-halle.de, chemistry MIME-Version: 1.0 Message-Id: <01080112242101.03056: at :bathl> --------------Boundary-00=_LWWD7P00BXQDT5S7700N Content-type: text/plain; charset="iso-8859-1" Content-transfer-encoding: 8bit Hi, I had the same problem and asked the gaussian support about it. They send me a documentation how to change the shmmax parameter. I think the first thing you need is a kernel compiled with big memory support (we are using the 2.4.x kernels and I have enabled 64GB support). Before recompiling the kernel you can change the shmmax parameter in the kernel_source_dir/include/linux/shmmax (for 2.4.x kernels, for 2.2.x kernel see the attachment I'v got from gaussian support). But I'm not sure if this is neccessary because I did it but with a too small value. So gaussian still didn't run in parallel mode. After the following command gaussian run fine in parallel mode then: echo "2147483648" >/proc/sys/kernel/shmmax This enables 2GB shared memory support, a higher value can be specified but will be automatically reduced to 2GB. I hope it helps you, Bernd --------------Boundary-00=_LWWD7P00BXQDT5S7700N Content-type: text/plain; charset="iso-8859-1"; name="linux_shmmax.txt from gaussian support" Content-transfer-encoding: base64 Content-Disposition: attachment; filename="linux_shmmax.txt from gaussian support" SW5jcmVhc2luZyB0aGUgc2l6ZSBvZiB0aGUgTGludXggc2hhcmVkIG1lbW9yeSBzZWdtZW50CgpU aGUgc2l6ZSBvZiB0aGUgc2hhcmVkIG1lbW9yeSBzZWdtZW50IGlzIHNldCBieSB0aGUgcGFyYW1l dGVyClNITU1BWCwgaW4gL3Vzci9zcmMvbGludXgvaW5jbHVkZS9hc20vc2htcGFyYW0uaC4gIFRo ZSBkZWZhdWx0CnZhbHVlIGluIDIuMCBhbmQgMi4yIGtlcm5lbHMgaXMgMHgyMDAwMDAwLCBvciAz Mk1CLiAgVG8gaW5jcmVhc2UKdGhlIHZhbHVlIG9mIFNITU1BWCwgZWRpdCBzaG1wYXJhbS5oLCBy ZWJ1aWxkIHRoZSBrZXJuZWwsIGFuZCByZWJvb3QuCgpJZiB5b3UgYXJlIGNvbWZvcnRhYmxlIHdp dGggdGhlIHByb2Nlc3Mgb2YgYnVpbGRpbmcgdGhlIExpbnV4IGtlcm5lbCwKd2Ugc3VnZ2VzdCB5 b3UgdHJ5IHRoZSByZWNlbnRseSByZWxlYXNlZCAyLjIuMSBrZXJuZWwgKGdldCBpdCBmcm9tCmZ0 cC5rZXJuZWwub3JnIG9yIGEgbWlycm9yIHNpdGUpLiAgVGhlIDIuMiBrZXJuZWxzIGhhdmUgaW1w cm92ZWQgU01QCnBlcmZvcm1hbmNlIGFuZCB0aGUgYWJpbGl0eSB0byBjaGFuZ2UgdGhlIHNoYXJl ZCBtZW1vcnkgc2l6ZSBvbiB0aGUgZmx5LApieSBjaGFuZ2luZyB0aGUgdmFsdWUgaW4gL3Byb2Mv c3lzL2tlcm5lbC9zaG1tYXguICBGb3IgZXhhbXBsZSwKCiMgZWNobyAiNjcxMDg4NjQiID4vcHJv Yy9zeXMva2VybmVsL3NobW1heAoKd291bGQgc2V0IHRoZSBtYXhpbXVtIHNoYXJlZCBtZW1vcnkg c2VnbWVudCBzaXplIHRvIDY0TUIuCgpJZiB5b3UgYXJlIG5vdCBmYW1pbGlhciB3aXRoIHRoZSBw cm9jZWR1cmUgZm9yIGJ1aWxkaW5nIHRoZSBrZXJuZWwsCmFuZCB5b3UgYXJlIHVzaW5nIHRoZSBr ZXJuZWwgZGlzdHJpYnV0ZWQgd2l0aCBSZWQgSGF0IExpbnV4IDUuMiwKaGVyZSBpcyBhIHN0ZXAt Ynktc3RlcCBndWlkZSB0byByZWJ1aWxkaW5nIHRoZSBSZWQgSGF0IGtlcm5lbDoKCjEpIE1ha2Ug c3VyZSB0aGUga2VybmVsIHNvdXJjZSBhbmQgaGVhZGVycyBhcmUgaW5zdGFsbGVkLCBieSBkb2lu ZwoKJSBycG0gLXFhIHwgZ3JlcCBrZXJuCmtlcm5lbC0yLjAuMzYtMC43Cmtlcm5lbC1wY21jaWEt Y3MtMi4wLjM2LTAuNwprZXJuZWxjZmctMC41LTMKa2VybmVsLWhlYWRlcnMtMi4wLjM2LTAuNwpr ZXJuZWwtc291cmNlLTIuMC4zNi0wLjcKCklmIHlvdSBkbyBub3Qgc2VlCgprZXJuZWwtaGVhZGVy cy0yLjAuMzYtMC43Cmtlcm5lbC1zb3VyY2UtMi4wLjM2LTAuNwoKeW91IG11c3QgaW5zdGFsbCB0 aGVtIGZyb20gdGhlIFJlZCBIYXQgQ0QsIGJ5IGRvaW5nLCBhcyByb290CgojIHJwbSAtaSBrZXJu ZWwtaGVhZGVycy0yLjAuMzYtMC43LmkzODYucnBtCiMgcnBtIC1pIGtlcm5lbC1zb3VyY2UtMi4w LjM2LTAuNy5pMzg2LnJwbQoKMikgTm93LCBhcyByb290LCBlZGl0IC91c3Ivc3JjL2xpbnV4L2lu Y2x1ZGUvYXNtL3NobXBhcmFtLmggYW5kCmNoYW5nZSB0aGUgdmFsdWUgb2YgU0hNTUFYIHRvIGFu IGFwcHJvcHJpYXRlIHZhbHVlICgzLzQgb2YgdGhlIGFtb3VudCBvZgpwaHlzaWNhbCBtZW1vcnkg d291bGQgYmUgcmVhc29uYWJsZSkuCgozKSBOb3cgZG8sIGFzIHJvb3QKCiMgY2QgL3Vzci9zcmMv bGludXgKIyBtYWtlIG1wcm9wZXIKIyBtYWtlIGNvbmZpZwoKbWFrZSBjb25maWcgd2lsbCBhc2sg YSBzZXJpZXMgb2YgY29uZmlndXJhdGlvbiBxdWVzdGlvbnMsIGl0IHdpbGwgbG9vayBsaWtlOgoK IyBtYWtlIGNvbmZpZwpybSAtZiBpbmNsdWRlL2FzbQooIGNkIGluY2x1ZGUgOyBsbiAtc2YgYXNt LWkzODYgYXNtKQovYmluL3NoIHNjcmlwdHMvQ29uZmlndXJlIGFyY2gvaTM4Ni9jb25maWcuaW4K IwojIFVzaW5nIGRlZmF1bHRzIGZvdW5kIGluIGFyY2gvaTM4Ni9kZWZjb25maWcKIwoqCiogQ29k ZSBtYXR1cml0eSBsZXZlbCBvcHRpb25zCioKUHJvbXB0IGZvciBkZXZlbG9wbWVudCBhbmQvb3Ig aW5jb21wbGV0ZSBjb2RlL2RyaXZlcnMgKENPTkZJR19FWFBFUklNRU5UQUwpIFtZL24vP10gCgph bmQgc28gb24uICBUbyBldmVyeSBxdWVzdGlvbiwgVEFLRSBUSEUgREVGQVVMVCBWQUxVRSBCWSBI SVRUSU5HIEVOVEVSLgpXaGVuIHlvdSBhcmUgZG9uZSwgZG86CgojIG1ha2UgZGVwOyBtYWtlIGJv b3QKCkEgZ3JlYXQgZGVhbCBvZiBvdXRwdXQgd2lsbCBzY3JvbGwgYnkgYXMgYSBuZXcga2VybmVs IGlzIGNvbXBpbGVkLiAgV2hlbgp0aGUgYnVpbGQgaXMgY29tcGxldGUsIHRoZSBuZXcga2VybmVs IHdpbGwgYmUgaW4gdGhlIGZpbGUKL3Vzci9zcmMvbGludXgvYXJjaC9pMzg2L2Jvb3QvekltYWdl LgoKNCkgIE5vdyB5b3UgbWF5IHRlc3QgdGhlIG5ldyBrZXJuZWwgYnkgYm9vdGluZyBpdCBmcm9t IGEgZmxvcHB5LiAgUHV0IGEgYmxhbmsKZGlza2V0dGUgaW4geW91IGZsb3BweSBkcml2ZSBhbmQg ZG8sIGFzIHJvb3Q6CgojIGRkIGlmPS91c3Ivc3JjL2xpbnV4L2FyY2gvaTM4Ni9ib290L3pJbWFn ZSBvZj0vZGV2L2ZkMAoKNSkgIE5vdyByZWJvb3QgZnJvbSB0aGlzIGZsb3BweS4gIElmIGFsbCBz ZWVtcyB3ZWxsIHlvdSBtYXkgY29uZmlndXJlIExJTE8KdG8gYm9vdCB0aGUgbmV3IGtlcm5lbCwg b3IgY29udGludWUgdG8gYm9vdCBmcm9tIGZsb3BweS4KClRoZSBSZWQgSGF0IExpbnV4IDUuMiBt YW51YWwgZGlzY3Vzc2VzIGJ1aWxkaW5nIGEgY3VzdG9tIGtlcm5lbCwgYW5kIHVzaW5nCkxJTE8g dG8gYm9vdCBpdCBpbiBTZWN0aW9uIDExLjYsIHBwIDE5Ny0yMDAsIHRvIHdoaWNoIHdlIHJlZmVy IHlvdSBmb3IKZnVydGhlciBkZXRhaWxzLg== --------------Boundary-00=_LWWD7P00BXQDT5S7700N--