Task 38679673

Name test_968-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND8632_1
Workunit 31621372
Created 26 Oct 2026, 21:21:23 UTC
Sent 26 Oct 2026, 21:21:30 UTC
Report deadline 31 Oct 2026, 21:21:30 UTC
Received 26 Oct 2026, 22:26:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653248
Run time 35 min 33 sec
CPU time 33 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,933.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.13 MB
Peak swap size 6.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:42:33 (8652): wrapper (7.9.26016): starting
17:42:33 (8652): 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
17:42:34 (8652): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:42:34 (8652): 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\7\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\7\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
18:16:44 (8652): C:/Windows/system32/cmd.exe exited; CPU time 2023.765625
18:16:44 (8652): 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: 34165373 bytes.
Dumping objects ->
{3835185} normal block at 0x00000137D2F14AC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835174} normal block at 0x00000137D2F14A50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835163} normal block at 0x00000137D2F147B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835152} normal block at 0x00000137D2F14EB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835141} normal block at 0x00000137D2F14E40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835110} normal block at 0x00000137D4CD7E00, 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) : {3835097} normal block at 0x00000137D2F10F80, 8 bytes long.
 Data: <  @&#211;7   > 00 00 40 D3 37 01 00 00 
{3833953} normal block at 0x00000137D2F10440, 8 bytes long.
 Data: <&#176;I&#214;&#212;7   > B0 49 D6 D4 37 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000137D2F0EA10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000137D2F057F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x00000137D2F15C80, 16 bytes long.
 Data: <&#168;f&#241;&#210;7           > A8 66 F1 D2 37 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000137D2F15D20, 16 bytes long.
 Data: < f&#241;&#210;7           > 80 66 F1 D2 37 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000137D2F0FE60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x00000137D2F16130, 16 bytes long.
 Data: <Xf&#241;&#210;7           > 58 66 F1 D2 37 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000137D2F153C0, 16 bytes long.
 Data: <0f&#241;&#210;7           > 30 66 F1 D2 37 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000137D2F15690, 16 bytes long.
 Data: < f&#241;&#210;7           > 08 66 F1 D2 37 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000137D2F15FF0, 16 bytes long.
 Data: <&#224;e&#241;&#210;7           > E0 65 F1 D2 37 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000137D2F14B30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x00000137D2F15BE0, 16 bytes long.
 Data: <h&#180;&#239;&#210;7           > 68 B4 EF D2 37 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000137D2F10040, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x00000137D2F159B0, 16 bytes long.
 Data: <@&#180;&#239;&#210;7           > 40 B4 EF D2 37 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000137D2F156E0, 16 bytes long.
 Data: < &#180;&#239;&#210;7           > 18 B4 EF D2 37 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000137D2F15FA0, 16 bytes long.
 Data: <&#240;&#179;&#239;&#210;7           > F0 B3 EF D2 37 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000137D2F16040, 16 bytes long.
 Data: <&#200;&#179;&#239;&#210;7           > C8 B3 EF D2 37 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000137D2F15F50, 16 bytes long.
 Data: <&#160;&#179;&#239;&#210;7           > A0 B3 EF D2 37 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000137D2F160E0, 16 bytes long.
 Data: <x&#179;&#239;&#210;7           > 78 B3 EF D2 37 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000137D2F0F740, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x00000137D2F15EB0, 16 bytes long.
 Data: <P&#179;&#239;&#210;7           > 50 B3 EF D2 37 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000137D2EFB350, 320 bytes long.
 Data: <&#176;^&#241;&#210;7   @&#247;&#240;&#210;7   > B0 5E F1 D2 37 01 00 00 40 F7 F0 D2 37 01 00 00 
{272} normal block at 0x00000137D2F16310, 16 bytes long.
 Data: <&#192;e&#241;&#210;7           > C0 65 F1 D2 37 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000137D2F158C0, 16 bytes long.
 Data: < e&#241;&#210;7           > 98 65 F1 D2 37 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000137D2F0FE00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x00000137D2F155A0, 16 bytes long.
 Data: <pe&#241;&#210;7           > 70 65 F1 D2 37 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000137D2F0FB00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x00000137D2F15640, 16 bytes long.
 Data: <&#184;d&#241;&#210;7           > B8 64 F1 D2 37 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000137D2F15B40, 16 bytes long.
 Data: < d&#241;&#210;7           > 90 64 F1 D2 37 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000137D2F15AF0, 16 bytes long.
 Data: <hd&#241;&#210;7           > 68 64 F1 D2 37 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000137D2F15F00, 16 bytes long.
 Data: <@d&#241;&#210;7           > 40 64 F1 D2 37 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000137D2F155F0, 16 bytes long.
 Data: < d&#241;&#210;7           > 18 64 F1 D2 37 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000137D2F154B0, 16 bytes long.
 Data: <&#240;c&#241;&#210;7           > F0 63 F1 D2 37 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000137D2F15CD0, 16 bytes long.
 Data: < I&#241;&#210;7           > 00 49 F1 D2 37 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000137D2F14900, 40 bytes long.
 Data: <&#208;\&#241;&#210;7    ~&#205;&#212;7   > D0 5C F1 D2 37 01 00 00 00 7E CD D4 37 01 00 00 
{258} normal block at 0x00000137D2F16090, 16 bytes long.
 Data: <&#208;c&#241;&#210;7           > D0 63 F1 D2 37 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000137D2F15E60, 16 bytes long.
 Data: <&#168;c&#241;&#210;7           > A8 63 F1 D2 37 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000137D2F0F8C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x00000137D2F162C0, 16 bytes long.
 Data: < c&#241;&#210;7           > 80 63 F1 D2 37 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000137D2F16380, 992 bytes long.
 Data: <&#192;b&#241;&#210;7   &#192;&#248;&#240;&#210;7   > C0 62 F1 D2 37 01 00 00 C0 F8 F0 D2 37 01 00 00 
{90} normal block at 0x00000137D2F0F980, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x00000137D2F10C10, 16 bytes long.
 Data: <&#208;&#215;&#239;&#210;7           > D0 D7 EF D2 37 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x00000137D2EFD7D0, 40 bytes long.
 Data: <  &#241;&#210;7    &#249;&#240;&#210;7   > 10 0C F1 D2 37 01 00 00 80 F9 F0 D2 37 01 00 00 
{67} normal block at 0x00000137D2F10670, 16 bytes long.
 Data: < &#234;&#166; &#246;           > 80 EA A6 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000137D2F11020, 16 bytes long.
 Data: <@&#233;&#166; &#246;           > 40 E9 A6 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000137D2F106C0, 16 bytes long.
 Data: <&#248;W&#163; &#246;           > F8 57 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000137D2F108A0, 16 bytes long.
 Data: <&#216;W&#163; &#246;           > D8 57 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000137D2F10DF0, 16 bytes long.
 Data: <P &#163; &#246;           > 50 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000137D2F11160, 16 bytes long.
 Data: <0 &#163; &#246;           > 30 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000137D2F105D0, 16 bytes long.
 Data: <&#224; &#163; &#246;           > E0 02 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000137D2F10CB0, 16 bytes long.
 Data: <  &#163; &#246;           > 10 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000137D2F10FD0, 16 bytes long.
 Data: <p &#163; &#246;           > 70 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000137D2F11070, 16 bytes long.
 Data: < &#192;&#161; &#246;           > 18 C0 A1 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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