Task 38666399

Name test_927-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND5671_0
Workunit 31609327
Created 25 Oct 2026, 3:03:55 UTC
Sent 25 Oct 2026, 3:25:12 UTC
Report deadline 30 Oct 2026, 3:25:12 UTC
Received 25 Oct 2026, 4:00:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652843
Run time 25 min 14 sec
CPU time 24 min 15 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,198.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 742.62 MB
Peak swap size 12.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:35:22 (1300): wrapper (7.9.26016): starting
22:35:22 (1300): 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
22:35:23 (1300): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:35:23 (1300): 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\0\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\0\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
22:59:50 (1300): C:/Windows/system32/cmd.exe exited; CPU time 1455.734375
22:59:50 (1300): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 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: 22888277 bytes.
Dumping objects ->
{3835550} normal block at 0x000002986BD76720, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835539} normal block at 0x000002986BD76950, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835528} normal block at 0x000002986BD766B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835517} normal block at 0x000002986BD76870, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835506} normal block at 0x000002986BD765D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835475} normal block at 0x000002986DA1D860, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835464} normal block at 0x000002986DA7E940, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835461} normal block at 0x000002986BD6DF80, 8 bytes long.
 Data: <  $l    > 00 00 24 6C 98 02 00 00 
{3834683} normal block at 0x000002986DA7EC00, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000002986BD6DBC0, 8 bytes long.
 Data: <0w&#171;m    > 30 77 AB 6D 98 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000002986BD70220, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002986BD65310, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000002986BD75A10, 16 bytes long.
 Data: < d&#215;k            > 88 64 D7 6B 98 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002986BD75650, 16 bytes long.
 Data: <`d&#215;k            > 60 64 D7 6B 98 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002986BD6F1D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000002986BD75B00, 16 bytes long.
 Data: <8d&#215;k            > 38 64 D7 6B 98 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002986BD75B50, 16 bytes long.
 Data: < d&#215;k            > 10 64 D7 6B 98 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002986BD75290, 16 bytes long.
 Data: <&#232;c&#215;k            > E8 63 D7 6B 98 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002986BD759C0, 16 bytes long.
 Data: <&#192;c&#215;k            > C0 63 D7 6B 98 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002986BD76A30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000002986BD75560, 16 bytes long.
 Data: <H&#134;&#214;k            > 48 86 D6 6B 98 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002986BD6EF30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000002986BD75D80, 16 bytes long.
 Data: < &#134;&#214;k            > 20 86 D6 6B 98 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002986BD75F10, 16 bytes long.
 Data: <&#248;&#133;&#214;k            > F8 85 D6 6B 98 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002986BD75510, 16 bytes long.
 Data: <&#208;&#133;&#214;k            > D0 85 D6 6B 98 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002986BD75E70, 16 bytes long.
 Data: <&#168;&#133;&#214;k            > A8 85 D6 6B 98 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002986BD75C40, 16 bytes long.
 Data: < &#133;&#214;k            > 80 85 D6 6B 98 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002986BD754C0, 16 bytes long.
 Data: <X&#133;&#214;k            > 58 85 D6 6B 98 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002986BD6F410, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000002986BD75470, 16 bytes long.
 Data: <0&#133;&#214;k            > 30 85 D6 6B 98 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002986BD68530, 320 bytes long.
 Data: <pT&#215;k     &#244;&#214;k    > 70 54 D7 6B 98 02 00 00 10 F4 D6 6B 98 02 00 00 
{273} normal block at 0x000002986BD75EC0, 16 bytes long.
 Data: <&#160;c&#215;k            > A0 63 D7 6B 98 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002986BD75970, 16 bytes long.
 Data: <xc&#215;k            > 78 63 D7 6B 98 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002986BD6EED0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000002986BD75D30, 16 bytes long.
 Data: <Pc&#215;k            > 50 63 D7 6B 98 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002986BD6F350, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000002986BD751A0, 16 bytes long.
 Data: < b&#215;k            > 98 62 D7 6B 98 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002986BD75740, 16 bytes long.
 Data: <pb&#215;k            > 70 62 D7 6B 98 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002986BD75FB0, 16 bytes long.
 Data: <Hb&#215;k            > 48 62 D7 6B 98 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002986BD75BA0, 16 bytes long.
 Data: < b&#215;k            > 20 62 D7 6B 98 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002986BD75DD0, 16 bytes long.
 Data: <&#248;a&#215;k            > F8 61 D7 6B 98 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002986BD75600, 16 bytes long.
 Data: <&#208;a&#215;k            > D0 61 D7 6B 98 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002986BD76000, 16 bytes long.
 Data: < &#227;&#213;k            > 20 E3 D5 6B 98 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002986BD5E320, 40 bytes long.
 Data: < `&#215;k    `&#216;&#161;m    > 00 60 D7 6B 98 02 00 00 60 D8 A1 6D 98 02 00 00 
{259} normal block at 0x000002986BD755B0, 16 bytes long.
 Data: <&#176;a&#215;k            > B0 61 D7 6B 98 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002986BD75CE0, 16 bytes long.
 Data: < a&#215;k            > 88 61 D7 6B 98 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002986BD6F170, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000002986BD75330, 16 bytes long.
 Data: <`a&#215;k            > 60 61 D7 6B 98 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002986BD76160, 992 bytes long.
 Data: <0S&#215;k    p&#241;&#214;k    > 30 53 D7 6B 98 02 00 00 70 F1 D6 6B 98 02 00 00 
{91} normal block at 0x000002986BD6F050, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000002986BD6E570, 16 bytes long.
 Data: <0&#220;&#213;k            > 30 DC D5 6B 98 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000002986BD5DC30, 40 bytes long.
 Data: <p&#229;&#214;k    P&#240;&#214;k    > 70 E5 D6 6B 98 02 00 00 50 F0 D6 6B 98 02 00 00 
{68} normal block at 0x000002986BD6DD00, 16 bytes long.
 Data: < &#234;2&#181;&#246;           > 80 EA 32 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002986BD6E2A0, 16 bytes long.
 Data: <@&#233;2&#181;&#246;           > 40 E9 32 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002986BD6EA20, 16 bytes long.
 Data: <&#248;W/&#181;&#246;           > F8 57 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002986BD6E750, 16 bytes long.
 Data: <&#216;W/&#181;&#246;           > D8 57 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002986BD6E250, 16 bytes long.
 Data: <P /&#181;&#246;           > 50 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002986BD6E520, 16 bytes long.
 Data: <0 /&#181;&#246;           > 30 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002986BD6E2F0, 16 bytes long.
 Data: <&#224; /&#181;&#246;           > E0 02 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002986BD6E110, 16 bytes long.
 Data: <  /&#181;&#246;           > 10 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002986BD6E4D0, 16 bytes long.
 Data: <p /&#181;&#246;           > 70 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002986BD6E980, 16 bytes long.
 Data: < &#192;-&#181;&#246;           > 18 C0 2D B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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