From mboxrd@z Thu Jan 1 00:00:00 1970 Return-Path: Received: (qmail 34594 invoked by alias); 15 Feb 2018 12:59:54 -0000 Mailing-List: contact cygwin-help@cygwin.com; run by ezmlm Precedence: bulk List-Id: List-Subscribe: List-Archive: List-Post: List-Help: , Sender: cygwin-owner@cygwin.com Mail-Followup-To: cygwin@cygwin.com Received: (qmail 34363 invoked by uid 89); 15 Feb 2018 12:59:23 -0000 Authentication-Results: sourceware.org; auth=none X-Virus-Found: No X-Spam-SWARE-Status: No, score=0.8 required=5.0 tests=BAYES_50,FREEMAIL_FROM,HTML_MESSAGE,RCVD_IN_DNSWL_NONE,SPF_HELO_PASS,SPF_PASS,T_RP_MATCHES_RCVD autolearn=ham version=3.3.2 spammy=H*r:10.152.0, H*RU:15.20.0506.016, Hx-spam-relays-external:15.20.0506.016, HAccept-Language:fr-FR X-HELO: EUR01-HE1-obe.outbound.protection.outlook.com Received: from mail-oln040092065104.outbound.protection.outlook.com (HELO EUR01-HE1-obe.outbound.protection.outlook.com) (40.92.65.104) by sourceware.org (qpsmtpd/0.93/v0.84-503-g423c35a) with ESMTP; Thu, 15 Feb 2018 12:59:22 +0000 Received: from HE1EUR01FT034.eop-EUR01.prod.protection.outlook.com (10.152.0.60) by HE1EUR01HT040.eop-EUR01.prod.protection.outlook.com (10.152.1.19) with Microsoft SMTP Server (version=TLS1_2, cipher=TLS_ECDHE_RSA_WITH_AES_256_CBC_SHA384_P384) id 15.20.485.12; Thu, 15 Feb 2018 12:59:19 +0000 Received: from VI1P192MB0111.EURP192.PROD.OUTLOOK.COM (10.152.0.60) by HE1EUR01FT034.mail.protection.outlook.com (10.152.0.172) with Microsoft SMTP Server (version=TLS1_2, cipher=TLS_ECDHE_RSA_WITH_AES_128_CBC_SHA256_P256) id 15.20.485.12 via Frontend Transport; Thu, 15 Feb 2018 12:59:19 +0000 Received: from VI1P192MB0111.EURP192.PROD.OUTLOOK.COM ([fe80::dcad:2220:3b95:b5e0]) by VI1P192MB0111.EURP192.PROD.OUTLOOK.COM ([fe80::dcad:2220:3b95:b5e0%15]) with mapi id 15.20.0506.016; Thu, 15 Feb 2018 12:59:19 +0000 From: fateme haghighi To: "cygwin@cygwin.com" Subject: error of minimization Date: Thu, 15 Feb 2018 12:59:00 -0000 Message-ID: x-incomingtopheadermarker: OriginalChecksum:03F152EA45C9C56023B44E84E26F69A3EB5548EA56AD44A6DCF0528330BD6E79;UpperCasedChecksum:553A861DBF2B7E754E9D04483FFB0BE77B724B3C3EE98445CA138621E07AE083;SizeAsReceived:6782;Count:43 x-tmn: [wLvLznI9xQH20r9YmwoVZVK3G5RPaVxW] x-ms-publictraffictype: Email x-microsoft-exchange-diagnostics: 1;HE1EUR01HT040;6:IIB464r1TVie3pRg+c5X9QzIc8LNs8YvovF7L4RT+UdqEM8XcaidZtrlll71IJ6+NMOWTEuq9yRU9MwFbdqdoDsNQ0XGlD/JNwrcDQInZKjbjxWCashDkHPKF7l7y4IidLr2t8fiW6oow2Ga8Shv0qOUt3h4pflh2Iw/+PBCfxc9IiU01bu8N9MmQSWOaw8XZYFssbvcH0vN5xKGoY86o3QxmXBTVU8pIvhArW7d1YXcOVp87IKifOn+mYmvs0qPNpueFJEw21gXYKeLliNZy9gFuujfQ7kIy9W/dWIVlL4IYBPelZTck8pH7XVMlq4fM3hnPRbTjTONZqfh5JItBA==;5:YuiV160oiVYHqPXu1U96eBy6ODbKGDd3dZHMLrIXqoGWS4cAbkuG265iuLexUKFHGpM/XG6fvyW3Q7U7qSz8t/sH3twlEOsTHSQeU3yDFckiGXLBLj65jOhPDEyryXSpPYrrlxqL5Bh/dUestvpa5DhHuUZXhcR+heOlm7dUuSQ=;24:P1MLDY+3oQERTJpCP7Wo2S+J2citSRpGplvVcLnIDE8iXW4lN59uYLGXpXuPelqk4bJaPX5/VvM46NBqtmVK4Y+/lIxcfNlBqMWrZMPzSCo=;7:BeNJ0FCzo7UUVk/qKKcXNjir0ZxBdbfg8Ei7zTcdatLv2YUizX5h96n4d7t/ZYNr95dHnjjubEFzuIsHyzau8Pvjp9OhA/BOj8uEE4xGVYf1HDJL8xPKLyGpg1T3eLm+KC+YRLM/nCwhSY5qQoUYjm4WnMRU2BVWGLfHT/MymtAVl2XOD/N5/iA2Bd59XbmafIN2976KWN97JHncsQQ2WBdzdHf4tRDUmUfmH9+gqb3Xb1/HAGdW0c2eWVQblRzQ x-incomingheadercount: 43 x-eopattributedmessage: 0 x-microsoft-antispam: UriScan:;BCL:0;PCL:0;RULEID:(7020095)(201702061074)(5061506573)(5061507331)(1603103135)(2017031320274)(2017031324274)(2017031323274)(2017031322404)(1603101448)(1601125374)(1701031045);SRVR:HE1EUR01HT040; x-ms-traffictypediagnostic: HE1EUR01HT040: x-ms-office365-filtering-correlation-id: a6510895-4e92-416d-35a4-08d57473ed0f x-exchange-antispam-report-cfa-test: BCL:0;PCL:0;RULEID:(444000031);SRVR:HE1EUR01HT040;BCL:0;PCL:0;RULEID:;SRVR:HE1EUR01HT040; x-forefront-prvs: 058441C12A x-forefront-antispam-report: SFV:NSPM;SFS:(7070007)(98901004);DIR:OUT;SFP:1901;SCL:1;SRVR:HE1EUR01HT040;H:VI1P192MB0111.EURP192.PROD.OUTLOOK.COM;FPR:;SPF:None;LANG:; spamdiagnosticoutput: 1:99 spamdiagnosticmetadata: NSPM MIME-Version: 1.0 X-OriginatorOrg: outlook.com X-MS-Exchange-CrossTenant-Network-Message-Id: a6510895-4e92-416d-35a4-08d57473ed0f X-MS-Exchange-CrossTenant-originalarrivaltime: 15 Feb 2018 12:59:18.9113 (UTC) X-MS-Exchange-CrossTenant-fromentityheader: Internet X-MS-Exchange-CrossTenant-id: 84df9e7f-e9f6-40af-b435-aaaaaaaaaaaa X-MS-Exchange-Transport-CrossTenantHeadersStamped: HE1EUR01HT040 Content-Type: text/plain; charset="us-ascii" Content-Transfer-Encoding: quoted-printable X-SW-Source: 2018-02/txt/msg00172.txt.bz2 Hi, When I am trying to minimize energy of a molecule I have seen the error: 4 [main] antechamber 11428 find_fast_cwd: WARNING: Couldn't compute FAST_CW= D pointer. Please report this problem to the public mailing list cygwin@cygwin.com would you please help me. Thank you in advance -- Problem reports: http://cygwin.com/problems.html FAQ: http://cygwin.com/faq/ Documentation: http://cygwin.com/docs.html Unsubscribe info: http://cygwin.com/ml/#unsubscribe-simple