Task 38681863

Name test_523-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND5395_0
Workunit 31623508
Created 27 Oct 2026, 5:41:02 UTC
Sent 27 Oct 2026, 5:41:10 UTC
Report deadline 1 Nov 2026, 5:41:10 UTC
Received 27 Oct 2026, 6:37:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652862
Run time 17 min 56 sec
CPU time 17 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,075.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 749.96 MB
Peak swap size 12.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:19:59 (7888): wrapper (7.9.26016): starting
07:19:59 (7888): 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
07:20:00 (7888): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:20:00 (7888): 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\29\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\29\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
07:37:19 (7888): C:/Windows/system32/cmd.exe exited; CPU time 1020.203125
07:37:19 (7888): 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: 19210743 bytes.
Dumping objects ->
{3835578} normal block at 0x000002A2685BB100, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835567} normal block at 0x000002A2685BAAE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835556} normal block at 0x000002A2685BAED0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835545} normal block at 0x000002A2685BB090, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835534} normal block at 0x000002A268595D40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835503} normal block at 0x000002A26A1E5F90, 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) : {3835490} normal block at 0x000002A2685905B0, 8 bytes long.
 Data: <  Vh&#162;   > 00 00 56 68 A2 02 00 00 
{3833959} normal block at 0x000002A26858FAC0, 8 bytes long.
 Data: <&#176;W$j&#162;   > B0 57 24 6A A2 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002A268591E00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002A268587880, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000002A268596D60, 16 bytes long.
 Data: <(xYh&#162;           > 28 78 59 68 A2 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002A268596680, 16 bytes long.
 Data: < xYh&#162;           > 00 78 59 68 A2 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002A268590C90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000002A2685965E0, 16 bytes long.
 Data: <&#216;wYh&#162;           > D8 77 59 68 A2 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002A268596BD0, 16 bytes long.
 Data: <&#176;wYh&#162;           > B0 77 59 68 A2 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002A2685967C0, 16 bytes long.
 Data: < wYh&#162;           > 88 77 59 68 A2 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002A2685969A0, 16 bytes long.
 Data: <`wYh&#162;           > 60 77 59 68 A2 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002A2685961A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000002A268596FE0, 16 bytes long.
 Data: < &#158;Xh&#162;           > 88 9E 58 68 A2 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002A268590E70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000002A268597080, 16 bytes long.
 Data: <`&#158;Xh&#162;           > 60 9E 58 68 A2 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002A268596EA0, 16 bytes long.
 Data: <8&#158;Xh&#162;           > 38 9E 58 68 A2 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002A268596540, 16 bytes long.
 Data: < &#158;Xh&#162;           > 10 9E 58 68 A2 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002A2685969F0, 16 bytes long.
 Data: <&#232; Xh&#162;           > E8 9D 58 68 A2 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002A268596E00, 16 bytes long.
 Data: <&#192; Xh&#162;           > C0 9D 58 68 A2 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002A268597030, 16 bytes long.
 Data: <  Xh&#162;           > 98 9D 58 68 A2 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002A268590B10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000002A268596900, 16 bytes long.
 Data: <p Xh&#162;           > 70 9D 58 68 A2 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002A268589D70, 320 bytes long.
 Data: < iYh&#162;     Yh&#162;   > 00 69 59 68 A2 02 00 00 10 0B 59 68 A2 02 00 00 
{275} normal block at 0x000002A2685968B0, 16 bytes long.
 Data: <@wYh&#162;           > 40 77 59 68 A2 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002A268596F40, 16 bytes long.
 Data: < wYh&#162;           > 18 77 59 68 A2 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002A268590F30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000002A2685973F0, 16 bytes long.
 Data: <&#240;vYh&#162;           > F0 76 59 68 A2 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002A268590D50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000002A268596EF0, 16 bytes long.
 Data: <8vYh&#162;           > 38 76 59 68 A2 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002A268596A90, 16 bytes long.
 Data: < vYh&#162;           > 10 76 59 68 A2 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002A268597170, 16 bytes long.
 Data: <&#232;uYh&#162;           > E8 75 59 68 A2 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002A268597300, 16 bytes long.
 Data: <&#192;uYh&#162;           > C0 75 59 68 A2 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002A268596770, 16 bytes long.
 Data: < uYh&#162;           > 98 75 59 68 A2 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002A268597490, 16 bytes long.
 Data: <puYh&#162;           > 70 75 59 68 A2 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002A268597120, 16 bytes long.
 Data: <0aYh&#162;           > 30 61 59 68 A2 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002A268596130, 40 bytes long.
 Data: < qYh&#162;    _ j&#162;   > 20 71 59 68 A2 02 00 00 90 5F 1E 6A A2 02 00 00 
{261} normal block at 0x000002A268596860, 16 bytes long.
 Data: <PuYh&#162;           > 50 75 59 68 A2 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002A268597260, 16 bytes long.
 Data: <(uYh&#162;           > 28 75 59 68 A2 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002A268590C30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000002A268596CC0, 16 bytes long.
 Data: < uYh&#162;           > 00 75 59 68 A2 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002A268597500, 992 bytes long.
 Data: <&#192;lYh&#162;   0 Yh&#162;   > C0 6C 59 68 A2 02 00 00 30 0C 59 68 A2 02 00 00 
{93} normal block at 0x000002A268591650, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000002A26858F980, 16 bytes long.
 Data: < bYh&#162;           > 10 62 59 68 A2 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002A268596210, 40 bytes long.
 Data: < &#249;Xh&#162;   P Yh&#162;   > 80 F9 58 68 A2 02 00 00 50 16 59 68 A2 02 00 00 
{70} normal block at 0x000002A26858FE80, 16 bytes long.
 Data: < &#234; &#145;&#246;           > 80 EA 10 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002A26858F7F0, 16 bytes long.
 Data: <@&#233; &#145;&#246;           > 40 E9 10 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002A26858FFC0, 16 bytes long.
 Data: <&#248;W &#145;&#246;           > F8 57 0D 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002A26858F7A0, 16 bytes long.
 Data: <&#216;W &#145;&#246;           > D8 57 0D 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002A26858FD40, 16 bytes long.
 Data: <P  &#145;&#246;           > 50 04 0D 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002A2685900B0, 16 bytes long.
 Data: <0  &#145;&#246;           > 30 04 0D 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002A268590290, 16 bytes long.
 Data: <&#224;  &#145;&#246;           > E0 02 0D 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002A268590010, 16 bytes long.
 Data: <   &#145;&#246;           > 10 04 0D 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002A2685906F0, 16 bytes long.
 Data: <p  &#145;&#246;           > 70 04 0D 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002A268590600, 16 bytes long.
 Data: < &#192; &#145;&#246;           > 18 C0 0B 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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