Efficient solid state NMR powder simulations using SMP and MPP parallel computation
Methods for parallel simulation of solid state NMR powder spectra are presented for both shared and distributed memory parallel supercomputers. For shared memory architectures the performance of simulation programs implementing the OpenMP application programming interface is evaluated. It is demonst...
Saved in:
| Published in: | Journal of magnetic resonance (1997) Vol. 161; no. 2; pp. 183 - 190 |
|---|---|
| Main Authors: | , |
| Format: | Journal Article |
| Language: | English |
| Published: |
United States
Elsevier Inc
01.04.2003
|
| Subjects: | |
| ISSN: | 1090-7807, 1096-0856 |
| Online Access: | Get full text |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| Abstract | Methods for parallel simulation of solid state NMR powder spectra are presented for both shared and distributed memory parallel supercomputers. For shared memory architectures the performance of simulation programs implementing the OpenMP application programming interface is evaluated. It is demonstrated that the design of correct and efficient shared memory parallel programs is difficult as the performance depends on data locality and cache memory effects. The distributed memory parallel programming model is examined for simulation programs using the MPI message passing interface. The results reveal that both shared and distributed memory parallel computation are very efficient with an almost perfect application speedup and may be applied to the most advanced powder simulations. |
|---|---|
| AbstractList | Methods for parallel simulation of solid state NMR powder spectra are presented for both shared and distributed memory parallel supercomputers. For shared memory architectures the performance of simulation programs implementing the OpenMP application programming interface is evaluated. It is demonstrated that the design of correct and efficient shared memory parallel programs is difficult as the performance depends on data locality and cache memory effects. The distributed memory parallel programming model is examined for simulation programs using the MPI message passing interface. The results reveal that both shared and distributed memory parallel computation are very efficient with an almost perfect application speedup and may be applied to the most advanced powder simulations. Methods for parallel simulation of solid state NMR powder spectra are presented for both shared and distributed memory parallel supercomputers. For shared memory architectures the performance of simulation programs implementing the OpenMP application programming interface is evaluated. It is demonstrated that the design of correct and efficient shared memory parallel programs is difficult as the performance depends on data locality and cache memory effects. The distributed memory parallel programming model is examined for simulation programs using the MPI message passing interface. The results reveal that both shared and distributed memory parallel computation are very efficient with an almost perfect application speedup and may be applied to the most advanced powder simulations.Methods for parallel simulation of solid state NMR powder spectra are presented for both shared and distributed memory parallel supercomputers. For shared memory architectures the performance of simulation programs implementing the OpenMP application programming interface is evaluated. It is demonstrated that the design of correct and efficient shared memory parallel programs is difficult as the performance depends on data locality and cache memory effects. The distributed memory parallel programming model is examined for simulation programs using the MPI message passing interface. The results reveal that both shared and distributed memory parallel computation are very efficient with an almost perfect application speedup and may be applied to the most advanced powder simulations. |
| Author | Farnan, Ian Kristensen, Jørgen Holm |
| Author_xml | – sequence: 1 givenname: Jørgen Holm surname: Kristensen fullname: Kristensen, Jørgen Holm email: jhk28@cam.ac.uk – sequence: 2 givenname: Ian surname: Farnan fullname: Farnan, Ian |
| BackLink | https://www.ncbi.nlm.nih.gov/pubmed/12713968$$D View this record in MEDLINE/PubMed |
| BookMark | eNqFkU9v1DAQxS1URNuFjwDyCdFDYBwntiMOCFXlj9SFFQtny7EnyCiJg-2A-u3JbgoHLuvLWNbvzXjeuyRnYxiRkKcMXjJg4tWeQQOFVCBfAL-C5chCPiAXy7MoQNXi7HhfkXNymdIPAMZqCY_IOSsl441QF2R_03XeehwzTaH3jqZsMtJP2y90Cr8dRpr8MPcm-zAmOic_fqf77Y6a0dHtbkcnE03fY09tGKY5H7nH5GFn-oRP7uuGfHt38_X6Q3H7-f3H67e3heVNmYu2BamYq6ApHVdYqbbjlW26smmskKYSxhrlWkQs2xqsEC0YqE2nHEcpAPmGPF_7TjH8nDFlPfhkse_NiGFOWvKyaoQUJ8FSqrphvF7AZ_fg3A7o9BT9YOKd_uvXArxeARtDShE7bf26dI7G95qBPqSjj-nog_UauD6ms3xnQ-r_1P8GnNC9WXW4uPnLY9TpEJlF5yParF3wJzr8AUNZpl4 |
| CitedBy_id | crossref_primary_10_1016_j_cpc_2009_05_012 crossref_primary_10_1016_j_ssnmr_2014_05_003 |
| Cites_doi | 10.1021/ja00401a001 10.1063/1.1368660 10.1063/1.444338 10.1006/jmra.1994.1008 10.1016/S0926-2040(98)00074-5 10.1006/jmre.1996.1087 10.1006/jmra.1995.9978 10.1103/RevModPhys.29.74 10.1021/ja00995a049 10.1063/1.450211 10.1006/jmra.1995.1100 10.1006/jmre.1999.1758 10.1006/jmre.1998.1427 10.1021/ja00542a003 10.1006/jmre.2000.2179 |
| ContentType | Journal Article |
| Copyright | 2003 Elsevier Science (USA) |
| Copyright_xml | – notice: 2003 Elsevier Science (USA) |
| DBID | AAYXX CITATION NPM 8FD H8D L7M 7X8 |
| DOI | 10.1016/S1090-7807(03)00007-7 |
| DatabaseName | CrossRef PubMed Technology Research Database Aerospace Database Advanced Technologies Database with Aerospace MEDLINE - Academic |
| DatabaseTitle | CrossRef PubMed Technology Research Database Aerospace Database Advanced Technologies Database with Aerospace MEDLINE - Academic |
| DatabaseTitleList | Technology Research Database PubMed MEDLINE - Academic |
| Database_xml | – sequence: 1 dbid: NPM name: PubMed url: http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?db=PubMed sourceTypes: Index Database – sequence: 2 dbid: 7X8 name: MEDLINE - Academic url: https://search.proquest.com/medline sourceTypes: Aggregation Database |
| DeliveryMethod | fulltext_linktorsrc |
| Discipline | Chemistry Physics |
| EISSN | 1096-0856 |
| EndPage | 190 |
| ExternalDocumentID | 12713968 10_1016_S1090_7807_03_00007_7 S1090780703000077 |
| Genre | Journal Article |
| GroupedDBID | --- --K --M -~X .GJ .~1 0R~ 1B1 1RT 1~. 1~5 29K 4.4 457 4G. 53G 5GY 5RE 5VS 7-5 71M 8P~ AACTN AAEDT AAEDW AAIAV AAIKJ AAKOC AALRI AAOAW AAQFI AAQXK AARLI AAXUO ABBQC ABFNM ABGSF ABJNI ABLJU ABLVK ABMAC ABMZM ABNEU ABUDA ABXDB ABYKQ ACDAQ ACFVG ACGFS ACNCT ACNNM ACRLP ADBBV ADECG ADEZE ADFGL ADMUD ADUVX AEBSH AEHWI AEKER AENEX AFFNX AFKWA AFTJW AFXIZ AFZHZ AGHFR AGRDE AGUBO AGYEJ AIEXJ AIKHN AITUG AIVDX AJBFU AJOXV AJRQY AJSZI ALMA_UNASSIGNED_HOLDINGS AMFUW AMRAJ ANZVX ASPBG AVWKF AXJTR AZFZN BKOJK BLXMC BNPGV CAG COF CS3 D-I DM4 DOVZS DU5 EBS EFBJH EFLBG EJD EO8 EO9 EP2 EP3 F5P FA8 FDB FEDTE FGOYB FIRID FLBIZ FNPLU FYGXN G-Q G8K GBLVA HVGLF HZ~ IHE J1W KOM LCYCR LG5 M41 MO0 N9A O-L O9- OAUVE OGIMB OZT P-8 P-9 P2P PC. Q38 R2- RIG RNS ROL RPZ SCB SDF SDG SDP SES SEW SPC SPCBC SSH SSK SSQ SSU SSZ T5K UPT UQL XPP YQT ZA5 ZCG ZGI ZXP ~02 ~G- 9DU AATTM AAXKI AAYWO AAYXX ABDPE ABWVN ACIEU ACLOT ACRPL ACVFH ADCNI ADNMO ADVLN AEIPS AEUPX AFJKZ AFPUW AGQPQ AIGII AIIUN AKBMS AKRWK AKYEP ANKPU APXCP CITATION EFKBS ~HD NPM 8FD H8D L7M 7X8 |
| ID | FETCH-LOGICAL-c392t-bb0781d4092d38e48bf34c9f299c67a46aca8dbeee2b50c66b0a05af8d3e760e3 |
| ISICitedReferencesCount | 4 |
| ISICitedReferencesURI | http://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=Summon&SrcAuth=ProQuest&DestLinkType=CitingArticles&DestApp=WOS_CPL&KeyUT=000184409600008&url=https%3A%2F%2Fcvtisr.summon.serialssolutions.com%2F%23%21%2Fsearch%3Fho%3Df%26include.ft.matches%3Dt%26l%3Dnull%26q%3D |
| ISSN | 1090-7807 |
| IngestDate | Sun Sep 28 01:43:12 EDT 2025 Thu Oct 02 17:17:40 EDT 2025 Wed Feb 19 01:44:22 EST 2025 Sat Nov 29 03:44:36 EST 2025 Tue Nov 18 21:45:41 EST 2025 Fri Feb 23 02:28:45 EST 2024 |
| IsPeerReviewed | true |
| IsScholarly | true |
| Issue | 2 |
| Keywords | Parallel programming in the OpenMP application programming interface and MPI message passing interface Parallel simulation of solid state NMR powder spectra Shared and distributed memory parallel supercomputers |
| Language | English |
| License | https://www.elsevier.com/tdm/userlicense/1.0 |
| LinkModel | OpenURL |
| MergedId | FETCHMERGED-LOGICAL-c392t-bb0781d4092d38e48bf34c9f299c67a46aca8dbeee2b50c66b0a05af8d3e760e3 |
| Notes | ObjectType-Article-2 SourceType-Scholarly Journals-1 ObjectType-Feature-1 content type line 23 ObjectType-Article-1 ObjectType-Feature-2 |
| PMID | 12713968 |
| PQID | 27859135 |
| PQPubID | 23500 |
| PageCount | 8 |
| ParticipantIDs | proquest_miscellaneous_73249676 proquest_miscellaneous_27859135 pubmed_primary_12713968 crossref_citationtrail_10_1016_S1090_7807_03_00007_7 crossref_primary_10_1016_S1090_7807_03_00007_7 elsevier_sciencedirect_doi_10_1016_S1090_7807_03_00007_7 |
| PublicationCentury | 2000 |
| PublicationDate | 2003-04-01 |
| PublicationDateYYYYMMDD | 2003-04-01 |
| PublicationDate_xml | – month: 04 year: 2003 text: 2003-04-01 day: 01 |
| PublicationDecade | 2000 |
| PublicationPlace | United States |
| PublicationPlace_xml | – name: United States |
| PublicationTitle | Journal of magnetic resonance (1997) |
| PublicationTitleAlternate | J Magn Reson |
| PublicationYear | 2003 |
| Publisher | Elsevier Inc |
| Publisher_xml | – name: Elsevier Inc |
| References | Mehring (BIB1) 1983 Balasubramanian, Dalton (BIB5) 1979; 33 Fano (BIB26) 1957; 29 Chandra, Dagum, Kohr, Maydan, McDonald, Menon (BIB32) 2001 Bak, Rasmussen, Nielsen (BIB25) 2000; 147 Chandy, Taylor (BIB20) 1992 Kumar, Grama, Gupta, Karypis (BIB21) 1994 Zilm, Conlin, Grant, Michl (BIB6) 1980; 102 Schmidt-Rohr, Spiess (BIB2) 1994 Koelbel, Loveman, Schreiber, Steele, Zosel (BIB31) 1994 Pacheco (BIB33) 1996 Culler, Singh, Gupta (BIB30) 1999 Veen (BIB4) 1978; 30 Ponti (BIB17) 1999; 138 Ganapathy, Chacko, Bryant (BIB9) 1984; 57 Foster (BIB22) 1995 VanderHart, Gutowsky, Farrar (BIB3) 1967; 89 Kristensen, Hoatson, Vold (BIB27) 1998; 13 Greenfield, Ronemus, Vold, Vold, Ellis, Raidy (BIB23) 1987; 72 Kristensen, Farnan (BIB28) 2001; 114 Hexam, Frey, Opella (BIB8) 1982; 77 Koons, Hughes, Cho, Ellis (BIB13) 1995; 114 Bak, Nielsen (BIB15) 1997; 125 Hennessey, Patterson (BIB29) 1996 Akl (BIB19) 1989 Kreiter, Hütterman (BIB11) 1991; 93 Hockney, Jesshope (BIB18) 1988 Mombourquette, Weil (BIB12) 1992; 99 Zilm, Grant (BIB7) 1981; 103 Wang, Hanson (BIB14) 1995; 117 Edén, Levitt (BIB16) 1998; 132 Gropp, Lusk, Skjellum (BIB34) 1999 Alderman, Solum, Grant (BIB10) 1986; 84 Smith, Levante, Meier, Ernst (BIB24) 1994; 106 Kristensen (10.1016/S1090-7807(03)00007-7_BIB28) 2001; 114 Chandra (10.1016/S1090-7807(03)00007-7_BIB32) 2001 Gropp (10.1016/S1090-7807(03)00007-7_BIB34) 1999 Kumar (10.1016/S1090-7807(03)00007-7_BIB21) 1994 Hennessey (10.1016/S1090-7807(03)00007-7_BIB29) 1996 Edén (10.1016/S1090-7807(03)00007-7_BIB16) 1998; 132 VanderHart (10.1016/S1090-7807(03)00007-7_BIB3) 1967; 89 Mombourquette (10.1016/S1090-7807(03)00007-7_BIB12) 1992; 99 Bak (10.1016/S1090-7807(03)00007-7_BIB15) 1997; 125 Greenfield (10.1016/S1090-7807(03)00007-7_BIB23) 1987; 72 Chandy (10.1016/S1090-7807(03)00007-7_BIB20) 1992 Wang (10.1016/S1090-7807(03)00007-7_BIB14) 1995; 117 Hexam (10.1016/S1090-7807(03)00007-7_BIB8) 1982; 77 Pacheco (10.1016/S1090-7807(03)00007-7_BIB33) 1996 Balasubramanian (10.1016/S1090-7807(03)00007-7_BIB5) 1979; 33 Culler (10.1016/S1090-7807(03)00007-7_BIB30) 1999 Kreiter (10.1016/S1090-7807(03)00007-7_BIB11) 1991; 93 Zilm (10.1016/S1090-7807(03)00007-7_BIB7) 1981; 103 Koelbel (10.1016/S1090-7807(03)00007-7_BIB31) 1994 Veen (10.1016/S1090-7807(03)00007-7_BIB4) 1978; 30 Ganapathy (10.1016/S1090-7807(03)00007-7_BIB9) 1984; 57 Schmidt-Rohr (10.1016/S1090-7807(03)00007-7_BIB2) 1994 Hockney (10.1016/S1090-7807(03)00007-7_BIB18) 1988 Fano (10.1016/S1090-7807(03)00007-7_BIB26) 1957; 29 Kristensen (10.1016/S1090-7807(03)00007-7_BIB27) 1998; 13 Smith (10.1016/S1090-7807(03)00007-7_BIB24) 1994; 106 Zilm (10.1016/S1090-7807(03)00007-7_BIB6) 1980; 102 Koons (10.1016/S1090-7807(03)00007-7_BIB13) 1995; 114 Ponti (10.1016/S1090-7807(03)00007-7_BIB17) 1999; 138 Akl (10.1016/S1090-7807(03)00007-7_BIB19) 1989 Foster (10.1016/S1090-7807(03)00007-7_BIB22) 1995 Mehring (10.1016/S1090-7807(03)00007-7_BIB1) 1983 Alderman (10.1016/S1090-7807(03)00007-7_BIB10) 1986; 84 Bak (10.1016/S1090-7807(03)00007-7_BIB25) 2000; 147 |
| References_xml | – volume: 147 start-page: 296 year: 2000 ident: BIB25 publication-title: J. Magn. Reson. – volume: 114 start-page: 9608 year: 2001 ident: BIB28 publication-title: J. Chem. Phys. – volume: 103 start-page: 2913 year: 1981 ident: BIB7 publication-title: J. Am. Chem. Soc. – volume: 72 start-page: 89 year: 1987 ident: BIB23 publication-title: J. Magn. Reson. – volume: 57 start-page: 239 year: 1984 ident: BIB9 publication-title: J. Magn. Reson. – volume: 93 start-page: 12 year: 1991 ident: BIB11 publication-title: J. Magn. Reson. – year: 1989 ident: BIB19 article-title: The Design and Analysis of Parallel Algorithms – year: 1992 ident: BIB20 article-title: An Introduction to Parallel Programming – year: 1994 ident: BIB31 article-title: The High Performance Fortran Handbook – year: 1994 ident: BIB21 article-title: Introduction to Parallel Computing. Design and Analysis of Algorithms – volume: 77 start-page: 3847 year: 1982 ident: BIB8 publication-title: J. Chem. Phys. – year: 1988 ident: BIB18 article-title: Parallel Computers – volume: 106 start-page: 75 year: 1994 ident: BIB24 publication-title: J. Magn. Reson. – year: 1996 ident: BIB33 article-title: Parallel Programming with MPI – volume: 89 start-page: 5056 year: 1967 ident: BIB3 publication-title: J. Am. Chem. Soc. – volume: 99 start-page: 37 year: 1992 ident: BIB12 publication-title: J. Magn. Reson. – volume: 125 start-page: 132 year: 1997 ident: BIB15 publication-title: J. Magn. Reson. – volume: 114 start-page: 12 year: 1995 ident: BIB13 publication-title: J. Magn. Reson. – year: 1996 ident: BIB29 article-title: Computer Architecture. A Quantitative Approach – volume: 30 start-page: 91 year: 1978 ident: BIB4 publication-title: J. Magn. Reson. – year: 2001 ident: BIB32 article-title: Parallel Programming in OpenMP – year: 1994 ident: BIB2 article-title: Multidimensional Solid State NMR and Polymers – volume: 102 start-page: 6672 year: 1980 ident: BIB6 publication-title: J. Am. Chem. Soc. – year: 1995 ident: BIB22 article-title: Designing and Building Parallel Programs. Concepts and Tools for Parallel Software Engineering – volume: 33 start-page: 245 year: 1979 ident: BIB5 publication-title: J. Magn. Reson. – volume: 117 start-page: 1 year: 1995 ident: BIB14 publication-title: J. Magn. Reson. – year: 1983 ident: BIB1 article-title: Principles of High Resolution NMR in Solids – year: 1999 ident: BIB30 article-title: Parallel Computer Architecture. A Hardware/Software Approach – volume: 29 start-page: 74 year: 1957 ident: BIB26 publication-title: Rev. Mod. Phys. – year: 1999 ident: BIB34 article-title: Using MPI. Portable Parallel Programming with the Message Passing Interface – volume: 13 start-page: 1 year: 1998 ident: BIB27 publication-title: Solid State Nucl. Magn. Reson. – volume: 132 start-page: 220 year: 1998 ident: BIB16 publication-title: J. Magn. Reson. – volume: 84 start-page: 3717 year: 1986 ident: BIB10 publication-title: J. Chem. Phys. – volume: 138 start-page: 288 year: 1999 ident: BIB17 publication-title: J. Magn. Reson. – volume: 103 start-page: 2913 year: 1981 ident: 10.1016/S1090-7807(03)00007-7_BIB7 publication-title: J. Am. Chem. Soc. doi: 10.1021/ja00401a001 – volume: 114 start-page: 9608 year: 2001 ident: 10.1016/S1090-7807(03)00007-7_BIB28 publication-title: J. Chem. Phys. doi: 10.1063/1.1368660 – year: 2001 ident: 10.1016/S1090-7807(03)00007-7_BIB32 – volume: 99 start-page: 37 year: 1992 ident: 10.1016/S1090-7807(03)00007-7_BIB12 publication-title: J. Magn. Reson. – volume: 33 start-page: 245 year: 1979 ident: 10.1016/S1090-7807(03)00007-7_BIB5 publication-title: J. Magn. Reson. – year: 1992 ident: 10.1016/S1090-7807(03)00007-7_BIB20 – volume: 30 start-page: 91 year: 1978 ident: 10.1016/S1090-7807(03)00007-7_BIB4 publication-title: J. Magn. Reson. – volume: 77 start-page: 3847 year: 1982 ident: 10.1016/S1090-7807(03)00007-7_BIB8 publication-title: J. Chem. Phys. doi: 10.1063/1.444338 – year: 1994 ident: 10.1016/S1090-7807(03)00007-7_BIB2 – volume: 106 start-page: 75 year: 1994 ident: 10.1016/S1090-7807(03)00007-7_BIB24 publication-title: J. Magn. Reson. doi: 10.1006/jmra.1994.1008 – volume: 13 start-page: 1 year: 1998 ident: 10.1016/S1090-7807(03)00007-7_BIB27 publication-title: Solid State Nucl. Magn. Reson. doi: 10.1016/S0926-2040(98)00074-5 – year: 1996 ident: 10.1016/S1090-7807(03)00007-7_BIB29 – volume: 72 start-page: 89 year: 1987 ident: 10.1016/S1090-7807(03)00007-7_BIB23 publication-title: J. Magn. Reson. – year: 1996 ident: 10.1016/S1090-7807(03)00007-7_BIB33 – volume: 125 start-page: 132 year: 1997 ident: 10.1016/S1090-7807(03)00007-7_BIB15 publication-title: J. Magn. Reson. doi: 10.1006/jmre.1996.1087 – year: 1999 ident: 10.1016/S1090-7807(03)00007-7_BIB30 – year: 1994 ident: 10.1016/S1090-7807(03)00007-7_BIB21 – volume: 57 start-page: 239 year: 1984 ident: 10.1016/S1090-7807(03)00007-7_BIB9 publication-title: J. Magn. Reson. – volume: 117 start-page: 1 year: 1995 ident: 10.1016/S1090-7807(03)00007-7_BIB14 publication-title: J. Magn. Reson. doi: 10.1006/jmra.1995.9978 – volume: 29 start-page: 74 year: 1957 ident: 10.1016/S1090-7807(03)00007-7_BIB26 publication-title: Rev. Mod. Phys. doi: 10.1103/RevModPhys.29.74 – year: 1983 ident: 10.1016/S1090-7807(03)00007-7_BIB1 – year: 1995 ident: 10.1016/S1090-7807(03)00007-7_BIB22 – volume: 89 start-page: 5056 year: 1967 ident: 10.1016/S1090-7807(03)00007-7_BIB3 publication-title: J. Am. Chem. Soc. doi: 10.1021/ja00995a049 – year: 1994 ident: 10.1016/S1090-7807(03)00007-7_BIB31 – volume: 84 start-page: 3717 year: 1986 ident: 10.1016/S1090-7807(03)00007-7_BIB10 publication-title: J. Chem. Phys. doi: 10.1063/1.450211 – volume: 114 start-page: 12 year: 1995 ident: 10.1016/S1090-7807(03)00007-7_BIB13 publication-title: J. Magn. Reson. doi: 10.1006/jmra.1995.1100 – volume: 138 start-page: 288 year: 1999 ident: 10.1016/S1090-7807(03)00007-7_BIB17 publication-title: J. Magn. Reson. doi: 10.1006/jmre.1999.1758 – volume: 132 start-page: 220 year: 1998 ident: 10.1016/S1090-7807(03)00007-7_BIB16 publication-title: J. Magn. Reson. doi: 10.1006/jmre.1998.1427 – volume: 102 start-page: 6672 year: 1980 ident: 10.1016/S1090-7807(03)00007-7_BIB6 publication-title: J. Am. Chem. Soc. doi: 10.1021/ja00542a003 – volume: 93 start-page: 12 year: 1991 ident: 10.1016/S1090-7807(03)00007-7_BIB11 publication-title: J. Magn. Reson. – year: 1989 ident: 10.1016/S1090-7807(03)00007-7_BIB19 – year: 1988 ident: 10.1016/S1090-7807(03)00007-7_BIB18 – volume: 147 start-page: 296 year: 2000 ident: 10.1016/S1090-7807(03)00007-7_BIB25 publication-title: J. Magn. Reson. doi: 10.1006/jmre.2000.2179 – year: 1999 ident: 10.1016/S1090-7807(03)00007-7_BIB34 |
| SSID | ssj0011570 |
| Score | 1.6832119 |
| Snippet | Methods for parallel simulation of solid state NMR powder spectra are presented for both shared and distributed memory parallel supercomputers. For shared... |
| SourceID | proquest pubmed crossref elsevier |
| SourceType | Aggregation Database Index Database Enrichment Source Publisher |
| StartPage | 183 |
| SubjectTerms | Parallel programming in the OpenMP application programming interface and MPI message passing interface Parallel simulation of solid state NMR powder spectra Shared and distributed memory parallel supercomputers |
| Title | Efficient solid state NMR powder simulations using SMP and MPP parallel computation |
| URI | https://dx.doi.org/10.1016/S1090-7807(03)00007-7 https://www.ncbi.nlm.nih.gov/pubmed/12713968 https://www.proquest.com/docview/27859135 https://www.proquest.com/docview/73249676 |
| Volume | 161 |
| WOSCitedRecordID | wos000184409600008&url=https%3A%2F%2Fcvtisr.summon.serialssolutions.com%2F%23%21%2Fsearch%3Fho%3Df%26include.ft.matches%3Dt%26l%3Dnull%26q%3D |
| hasFullText | 1 |
| inHoldings | 1 |
| isFullTextHit | |
| isPrint | |
| journalDatabaseRights | – providerCode: PRVESC databaseName: Elsevier SD Freedom Collection Journals 2021 customDbUrl: eissn: 1096-0856 dateEnd: 99991231 omitProxy: false ssIdentifier: ssj0011570 issn: 1090-7807 databaseCode: AIEXJ dateStart: 19970101 isFulltext: true titleUrlDefault: https://www.sciencedirect.com providerName: Elsevier |
| link | http://cvtisr.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMwtV3Nb9MwFLdYB4ILgsGgfAwfAIGiQJo0sXMcUyc2baVindSb5TgOqtSlZWlhfz7v2U4aaaoKBy5RZdVx6vfL6_vy-xHyNpdShqwX-rpQhd8HFwLeOQ6uCtjmPIuzpNCBIZtgwyGfTNKRq5-vDJ0AK0t-c5Mu_quoYQyEjUdn_0HczU1hAD6D0OEKYofrXwl-YJpCYIof1pnmnjky5A3Pv3uL-W_sHFFNr1Z1BdzKhAouzke24GI08rAX-GymZ6bYfNVK1N-2YK_kj1LbHtBo0KOKwLZPadqOLxgtoksX6DnFxPwXjic-PTwN0cBH1kTJJw6udSQiahWwWOUZpFidaFlsG-2a9FowClu6smcZbG7pcBtOqJq7vUMCLXhuk3X12fqPq07WD7-J48uzMzEeTMbvFz99pBTD1LvjV9khuyGLU94hu4cng8lpk2Tqxcw2q3ALrQ94fV6v_iGIPrqVN5kum1wTY6KMH5GHTjL00GLiMbmjyz1y_6im9Nsj90y9r6qekIsGJdSghBqUUEAJtSihLZRQgxIKKKGAEgoooTVKaAslT8nl8WB89NV3_Bq-Aqt46WcZdnrKwcMP84jrPs-KqK_SAiwUlTDZT6SSPM-01mEWBypJskAGsSx4HmmWBDraJ51yXurnhMJ4HERMMZkHaO5ksUp1gb61LvIgirukX2-dUK75PHKgzERTZYg7LnDHRRAJs-OCdcmnZtrCdl_ZNoHXchHOhLSmoQB0bZv6ppajALFg3kyWer6qRMiwySP-iE3fYOCWpAlLuuSZBcD6aUERRmnCX2yd-5I8WL9Ur0hneb3Sr8ld9Ws5ra4PyA6b8AOH4D_Du6mt |
| linkProvider | Elsevier |
| openUrl | ctx_ver=Z39.88-2004&ctx_enc=info%3Aofi%2Fenc%3AUTF-8&rfr_id=info%3Asid%2Fsummon.serialssolutions.com&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Efficient+solid+state+NMR+powder+simulations+using+SMP+and+MPP+parallel+computation&rft.jtitle=Journal+of+magnetic+resonance+%281997%29&rft.au=Kristensen%2C+J%C3%B8rgen+Holm&rft.au=Farnan%2C+Ian&rft.date=2003-04-01&rft.issn=1090-7807&rft.volume=161&rft.issue=2&rft.spage=183&rft_id=info:doi/10.1016%2Fs1090-7807%2803%2900007-7&rft.externalDBID=NO_FULL_TEXT |
| thumbnail_l | http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/lc.gif&issn=1090-7807&client=summon |
| thumbnail_m | http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/mc.gif&issn=1090-7807&client=summon |
| thumbnail_s | http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/sc.gif&issn=1090-7807&client=summon |