Task 38685817

Name test_553-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND0583_0
Workunit 31627271
Created 27 Oct 2026, 23:08:30 UTC
Sent 27 Oct 2026, 23:08:33 UTC
Report deadline 1 Nov 2026, 23:08:33 UTC
Received 28 Oct 2026, 3:49:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550227
Run time 1 hours 30 min 21 sec
CPU time 1 hours 17 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,806.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 676.20 MB
Peak swap size 5.24 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
19:21:29 (24264): wrapper (7.9.26016): starting
19:21:29 (24264): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
19:21:34 (24264): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:21:34 (24264): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\3\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\3\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
20:48:52 (24264): C:/Windows/system32/cmd.exe exited; CPU time 4620.843750
20:48:52 (24264): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 75699327 bytes.
Dumping objects ->
{3835221} normal block at 0x0000021B7BC10C50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835210} normal block at 0x0000021B7BC10B00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835199} normal block at 0x0000021B7BC10E80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835188} normal block at 0x0000021B7BC11040, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835177} normal block at 0x0000021B7BC10F60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835146} normal block at 0x0000021B7BCBBA00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835133} normal block at 0x0000021B7A226930, 8 bytes long.
 Data: <   z    > 00 00 1A 7A 1B 02 00 00 
{3833949} normal block at 0x0000021B7A225F30, 8 bytes long.
 Data: < &#233;&#193;{    > 10 E9 C1 7B 1B 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000021B7A230130, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021B7A21B320, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000021B7A231300, 16 bytes long.
 Data: <x7#z            > 78 37 23 7A 1B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021B7A231760, 16 bytes long.
 Data: <P7#z            > 50 37 23 7A 1B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021B7A22B2F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x0000021B7A231D50, 16 bytes long.
 Data: <(7#z            > 28 37 23 7A 1B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021B7A231850, 16 bytes long.
 Data: < 7#z            > 00 37 23 7A 1B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021B7A231260, 16 bytes long.
 Data: <&#216;6#z            > D8 36 23 7A 1B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021B7A231210, 16 bytes long.
 Data: <&#176;6#z            > B0 36 23 7A 1B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021B7A22C970, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000021B7A231670, 16 bytes long.
 Data: < &#191;!z            > 88 BF 21 7A 1B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021B7A22AF30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000021B7A231C10, 16 bytes long.
 Data: <`&#191;!z            > 60 BF 21 7A 1B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021B7A231620, 16 bytes long.
 Data: <8&#191;!z            > 38 BF 21 7A 1B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021B7A2311C0, 16 bytes long.
 Data: < &#191;!z            > 10 BF 21 7A 1B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021B7A231EE0, 16 bytes long.
 Data: <&#232;&#190;!z            > E8 BE 21 7A 1B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021B7A2318A0, 16 bytes long.
 Data: <&#192;&#190;!z            > C0 BE 21 7A 1B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021B7A231B20, 16 bytes long.
 Data: < &#190;!z            > 98 BE 21 7A 1B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021B7A22ACF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x0000021B7A231FD0, 16 bytes long.
 Data: <p&#190;!z            > 70 BE 21 7A 1B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021B7A21BE70, 320 bytes long.
 Data: <&#208; #z    &#240;&#172;"z    > D0 1F 23 7A 1B 02 00 00 F0 AC 22 7A 1B 02 00 00 
{270} normal block at 0x0000021B7A2313F0, 16 bytes long.
 Data: < 6#z            > 90 36 23 7A 1B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021B7A231580, 16 bytes long.
 Data: <h6#z            > 68 36 23 7A 1B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021B7A22A9F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x0000021B7A231080, 16 bytes long.
 Data: <@6#z            > 40 36 23 7A 1B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021B7A22B470, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x0000021B7A231AD0, 16 bytes long.
 Data: < 5#z            > 88 35 23 7A 1B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021B7A231530, 16 bytes long.
 Data: <`5#z            > 60 35 23 7A 1B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021B7A231800, 16 bytes long.
 Data: <85#z            > 38 35 23 7A 1B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021B7A231170, 16 bytes long.
 Data: < 5#z            > 10 35 23 7A 1B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021B7A2314E0, 16 bytes long.
 Data: <&#232;4#z            > E8 34 23 7A 1B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021B7A231710, 16 bytes long.
 Data: <&#192;4#z            > C0 34 23 7A 1B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021B7A2312B0, 16 bytes long.
 Data: <P&#202;"z            > 50 CA 22 7A 1B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021B7A22CA50, 40 bytes long.
 Data: <&#176; #z     &#186;&#203;{    > B0 12 23 7A 1B 02 00 00 00 BA CB 7B 1B 02 00 00 
{256} normal block at 0x0000021B7A231A80, 16 bytes long.
 Data: <&#160;4#z            > A0 34 23 7A 1B 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000021B7A231490, 16 bytes long.
 Data: <x4#z            > 78 34 23 7A 1B 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000021B7A22ABD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000021B7A231350, 16 bytes long.
 Data: <P4#z            > 50 34 23 7A 1B 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000021B7A233450, 992 bytes long.
 Data: <P #z    &#208;&#171;"z    > 50 13 23 7A 1B 02 00 00 D0 AB 22 7A 1B 02 00 00 
{88} normal block at 0x0000021B7A22A870, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x0000021B7A2262F0, 16 bytes long.
 Data: < &#201;"z            > 00 C9 22 7A 1B 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000021B7A22C900, 40 bytes long.
 Data: <&#240;b"z    p&#168;"z    > F0 62 22 7A 1B 02 00 00 70 A8 22 7A 1B 02 00 00 
{65} normal block at 0x0000021B7A226700, 16 bytes long.
 Data: < &#234;Q&#201;&#247;           > 80 EA 51 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021B7A225A80, 16 bytes long.
 Data: <@&#233;Q&#201;&#247;           > 40 E9 51 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021B7A226020, 16 bytes long.
 Data: <&#248;WN&#201;&#247;           > F8 57 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021B7A225FD0, 16 bytes long.
 Data: <&#216;WN&#201;&#247;           > D8 57 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021B7A225C10, 16 bytes long.
 Data: <P N&#201;&#247;           > 50 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021B7A225EE0, 16 bytes long.
 Data: <0 N&#201;&#247;           > 30 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021B7A225B20, 16 bytes long.
 Data: <&#224; N&#201;&#247;           > E0 02 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000021B7A225D50, 16 bytes long.
 Data: <  N&#201;&#247;           > 10 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000021B7A225D00, 16 bytes long.
 Data: <p N&#201;&#247;           > 70 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000021B7A2267F0, 16 bytes long.
 Data: < &#192;L&#201;&#247;           > 18 C0 4C C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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