Task 38672406

Name test_464-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND5424_0
Workunit 31614550
Created 25 Oct 2026, 23:19:54 UTC
Sent 25 Oct 2026, 23:19:57 UTC
Report deadline 30 Oct 2026, 23:19:57 UTC
Received 25 Oct 2026, 23:51:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 639137
Run time 31 min 4 sec
CPU time 28 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,451.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.79 MB
Peak swap size 8.31 GB
Peak disk usage 3.74 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
03:21:53 (2560): wrapper (7.9.26016): starting
03:21:53 (2560): 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
03:21:55 (2560): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:21:55 (2560): 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\10\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\10\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
03:51:25 (2560): C:/Windows/system32/cmd.exe exited; CPU time 1706.984375
03:51:25 (2560): 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: 47880237 bytes.
Dumping objects ->
{3835387} normal block at 0x000001B434C88350, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835376} normal block at 0x000001B434C884A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835365} normal block at 0x000001B432FB5420, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835354} normal block at 0x000001B432FB5340, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835343} normal block at 0x000001B432FB52D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835312} normal block at 0x000001B434C966B0, 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) : {3835299} normal block at 0x000001B432FAD8F0, 8 bytes long.
 Data: <  &#246;2&#180;   > 00 00 F6 32 B4 01 00 00 
{3833968} normal block at 0x000001B432FAE0C0, 8 bytes long.
 Data: <pJ&#210;4&#180;   > 70 4A D2 34 B4 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001B432FB0980, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001B432FA69A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001B432FB5F20, 16 bytes long.
 Data: < l&#251;2&#180;           > 18 6C FB 32 B4 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001B432FB5C50, 16 bytes long.
 Data: <&#240;k&#251;2&#180;           > F0 6B FB 32 B4 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B432FAF9D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001B432FB5A70, 16 bytes long.
 Data: <&#200;k&#251;2&#180;           > C8 6B FB 32 B4 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B432FB5A20, 16 bytes long.
 Data: <&#160;k&#251;2&#180;           > A0 6B FB 32 B4 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B432FB59D0, 16 bytes long.
 Data: <xk&#251;2&#180;           > 78 6B FB 32 B4 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B432FB6880, 16 bytes long.
 Data: <Pk&#251;2&#180;           > 50 6B FB 32 B4 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B432FB4E00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001B432FB5FC0, 16 bytes long.
 Data: <&#184;&#242;&#249;2&#180;           > B8 F2 F9 32 B4 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B432FB0030, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001B432FB5E30, 16 bytes long.
 Data: < &#242;&#249;2&#180;           > 90 F2 F9 32 B4 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B432FB5AC0, 16 bytes long.
 Data: <h&#242;&#249;2&#180;           > 68 F2 F9 32 B4 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B432FB5F70, 16 bytes long.
 Data: <@&#242;&#249;2&#180;           > 40 F2 F9 32 B4 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B432FB5980, 16 bytes long.
 Data: < &#242;&#249;2&#180;           > 18 F2 F9 32 B4 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B432FB6830, 16 bytes long.
 Data: <&#240;&#241;&#249;2&#180;           > F0 F1 F9 32 B4 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B432FB5D40, 16 bytes long.
 Data: <&#200;&#241;&#249;2&#180;           > C8 F1 F9 32 B4 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B432FAFB50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001B432FB6740, 16 bytes long.
 Data: <&#160;&#241;&#249;2&#180;           > A0 F1 F9 32 B4 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B432F9F1A0, 320 bytes long.
 Data: <@g&#251;2&#180;   P&#251;&#250;2&#180;   > 40 67 FB 32 B4 01 00 00 50 FB FA 32 B4 01 00 00 
{277} normal block at 0x000001B432FB67E0, 16 bytes long.
 Data: <0k&#251;2&#180;           > 30 6B FB 32 B4 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B432FB5BB0, 16 bytes long.
 Data: < k&#251;2&#180;           > 08 6B FB 32 B4 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B432FB0150, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001B432FB65B0, 16 bytes long.
 Data: <&#224;j&#251;2&#180;           > E0 6A FB 32 B4 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B432FB0570, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001B432FB6510, 16 bytes long.
 Data: <(j&#251;2&#180;           > 28 6A FB 32 B4 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B432FB6470, 16 bytes long.
 Data: < j&#251;2&#180;           > 00 6A FB 32 B4 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B432FB6420, 16 bytes long.
 Data: <&#216;i&#251;2&#180;           > D8 69 FB 32 B4 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B432FB6650, 16 bytes long.
 Data: <&#176;i&#251;2&#180;           > B0 69 FB 32 B4 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B432FB63D0, 16 bytes long.
 Data: < i&#251;2&#180;           > 88 69 FB 32 B4 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B432FB5B60, 16 bytes long.
 Data: <`i&#251;2&#180;           > 60 69 FB 32 B4 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B432FB5DE0, 16 bytes long.
 Data: <PO&#251;2&#180;           > 50 4F FB 32 B4 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B432FB4F50, 40 bytes long.
 Data: <&#224;]&#251;2&#180;   &#176;f&#201;4&#180;   > E0 5D FB 32 B4 01 00 00 B0 66 C9 34 B4 01 00 00 
{263} normal block at 0x000001B432FB62E0, 16 bytes long.
 Data: <@i&#251;2&#180;           > 40 69 FB 32 B4 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B432FB5930, 16 bytes long.
 Data: < i&#251;2&#180;           > 18 69 FB 32 B4 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B432FAFDF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001B432FB64C0, 16 bytes long.
 Data: <&#240;h&#251;2&#180;           > F0 68 FB 32 B4 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B432FB68F0, 992 bytes long.
 Data: <&#192;d&#251;2&#180;   &#240;&#253;&#250;2&#180;   > C0 64 FB 32 B4 01 00 00 F0 FD FA 32 B4 01 00 00 
{95} normal block at 0x000001B432FAFD90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001B432FADC10, 16 bytes long.
 Data: < M&#251;2&#180;           > 20 4D FB 32 B4 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001B432FB4D20, 40 bytes long.
 Data: < &#220;&#250;2&#180;    &#253;&#250;2&#180;   > 10 DC FA 32 B4 01 00 00 90 FD FA 32 B4 01 00 00 
{72} normal block at 0x000001B432FAD4E0, 16 bytes long.
 Data: < &#234;S&#210;&#247;           > 80 EA 53 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001B432FAD490, 16 bytes long.
 Data: <@&#233;S&#210;&#247;           > 40 E9 53 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001B432FAE340, 16 bytes long.
 Data: <&#248;WP&#210;&#247;           > F8 57 50 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B432FAD440, 16 bytes long.
 Data: <&#216;WP&#210;&#247;           > D8 57 50 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B432FAD3F0, 16 bytes long.
 Data: <P P&#210;&#247;           > 50 04 50 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B432FADE90, 16 bytes long.
 Data: <0 P&#210;&#247;           > 30 04 50 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B432FADF30, 16 bytes long.
 Data: <&#224; P&#210;&#247;           > E0 02 50 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B432FADDA0, 16 bytes long.
 Data: <  P&#210;&#247;           > 10 04 50 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B432FADB70, 16 bytes long.
 Data: <p P&#210;&#247;           > 70 04 50 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B432FADB20, 16 bytes long.
 Data: < &#192;N&#210;&#247;           > 18 C0 4E D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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