Task 38686211

Name test_393-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND2509_0
Workunit 31627649
Created 28 Oct 2026, 1:18:57 UTC
Sent 28 Oct 2026, 1:19:05 UTC
Report deadline 2 Nov 2026, 1:19:05 UTC
Received 28 Oct 2026, 2:15:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647966
Run time 53 min 19 sec
CPU time 50 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 749.75 MB
Peak swap size 13.42 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:17:55 (4848): wrapper (7.9.26016): starting
08:17:55 (4848): 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
08:17:57 (4848): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:17:57 (4848): 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\4\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\4\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
09:09:51 (4848): C:/Windows/system32/cmd.exe exited; CPU time 3045.078125
09:09:51 (4848): 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: 46552793 bytes.
Dumping objects ->
{3835234} normal block at 0x0000014B60C95D40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000014B60C95CD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x0000014B60C95DB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x0000014B60C95FE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x0000014B60C95F70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x0000014B628EE890, 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) : {3835146} normal block at 0x0000014B60C8B340, 8 bytes long.
 Data: <  &#193;`K   > 00 00 C1 60 4B 01 00 00 
{3833977} normal block at 0x0000014B60C8B2F0, 8 bytes long.
 Data: <&#176;&#217;&#214;`K   > B0 D9 D6 60 4B 01 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x0000014B60C91F40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000014B60C86DA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{304} normal block at 0x0000014B60C96730, 16 bytes long.
 Data: <&#216;s&#201;`K           > D8 73 C9 60 4B 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000014B60C96640, 16 bytes long.
 Data: <&#176;s&#201;`K           > B0 73 C9 60 4B 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000014B60C8F280, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{301} normal block at 0x0000014B60C965A0, 16 bytes long.
 Data: < s&#201;`K           > 88 73 C9 60 4B 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000014B60C96500, 16 bytes long.
 Data: <`s&#201;`K           > 60 73 C9 60 4B 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000014B60C96FF0, 16 bytes long.
 Data: <8s&#201;`K           > 38 73 C9 60 4B 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000014B60C96AF0, 16 bytes long.
 Data: < s&#201;`K           > 10 73 C9 60 4B 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000014B60C95A30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{296} normal block at 0x0000014B60C96D70, 16 bytes long.
 Data: <&#200;&#253;&#199;`K           > C8 FD C7 60 4B 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000014B60C8EA40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{294} normal block at 0x0000014B60C965F0, 16 bytes long.
 Data: <&#160;&#253;&#199;`K           > A0 FD C7 60 4B 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000014B60C96460, 16 bytes long.
 Data: <x&#253;&#199;`K           > 78 FD C7 60 4B 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000014B60C96410, 16 bytes long.
 Data: <P&#253;&#199;`K           > 50 FD C7 60 4B 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000014B60C96190, 16 bytes long.
 Data: <(&#253;&#199;`K           > 28 FD C7 60 4B 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000014B60C96A00, 16 bytes long.
 Data: < &#253;&#199;`K           > 00 FD C7 60 4B 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000014B60C96BE0, 16 bytes long.
 Data: <&#216;&#252;&#199;`K           > D8 FC C7 60 4B 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000014B60C8F580, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{286} normal block at 0x0000014B60C968C0, 16 bytes long.
 Data: <&#176;&#252;&#199;`K           > B0 FC C7 60 4B 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000014B60C7FCB0, 320 bytes long.
 Data: <&#192;h&#201;`K    &#245;&#200;`K   > C0 68 C9 60 4B 01 00 00 80 F5 C8 60 4B 01 00 00 
{284} normal block at 0x0000014B60C96370, 16 bytes long.
 Data: <&#240;r&#201;`K           > F0 72 C9 60 4B 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000014B60C96550, 16 bytes long.
 Data: <&#200;r&#201;`K           > C8 72 C9 60 4B 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000014B60C8F520, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{281} normal block at 0x0000014B60C96870, 16 bytes long.
 Data: <&#160;r&#201;`K           > A0 72 C9 60 4B 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000014B60C8F040, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{279} normal block at 0x0000014B60C96320, 16 bytes long.
 Data: <&#232;q&#201;`K           > E8 71 C9 60 4B 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000014B60C96960, 16 bytes long.
 Data: <&#192;q&#201;`K           > C0 71 C9 60 4B 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000014B60C966E0, 16 bytes long.
 Data: < q&#201;`K           > 98 71 C9 60 4B 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000014B60C96140, 16 bytes long.
 Data: <pq&#201;`K           > 70 71 C9 60 4B 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000014B60C962D0, 16 bytes long.
 Data: <Hq&#201;`K           > 48 71 C9 60 4B 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000014B60C96690, 16 bytes long.
 Data: < q&#201;`K           > 20 71 C9 60 4B 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000014B60C960F0, 16 bytes long.
 Data: < ^&#201;`K           > 90 5E C9 60 4B 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000014B60C95E90, 40 bytes long.
 Data: <&#240;`&#201;`K    &#232;&#142;bK   > F0 60 C9 60 4B 01 00 00 90 E8 8E 62 4B 01 00 00 
{270} normal block at 0x0000014B60C96AA0, 16 bytes long.
 Data: < q&#201;`K           > 00 71 C9 60 4B 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000014B60C969B0, 16 bytes long.
 Data: <&#216;p&#201;`K           > D8 70 C9 60 4B 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000014B60C8F5E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{267} normal block at 0x0000014B60C964B0, 16 bytes long.
 Data: <&#176;p&#201;`K           > B0 70 C9 60 4B 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000014B60C970B0, 992 bytes long.
 Data: <&#176;d&#201;`K   &#224;&#245;&#200;`K   > B0 64 C9 60 4B 01 00 00 E0 F5 C8 60 4B 01 00 00 
{102} normal block at 0x0000014B60C8EBC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{101} normal block at 0x0000014B60C8B2A0, 16 bytes long.
 Data: <&#224;&#239;&#199;`K           > E0 EF C7 60 4B 01 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x0000014B60C7EFE0, 40 bytes long.
 Data: <&#160;&#178;&#200;`K   &#192;&#235;&#200;`K   > A0 B2 C8 60 4B 01 00 00 C0 EB C8 60 4B 01 00 00 
{79} normal block at 0x0000014B60C8B750, 16 bytes long.
 Data: < &#234;&#211;&#237;&#246;           > 80 EA D3 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000014B60C8B200, 16 bytes long.
 Data: <@&#233;&#211;&#237;&#246;           > 40 E9 D3 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000014B60C8B570, 16 bytes long.
 Data: <&#248;W&#208;&#237;&#246;           > F8 57 D0 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000014B60C8B520, 16 bytes long.
 Data: <&#216;W&#208;&#237;&#246;           > D8 57 D0 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000014B60C8B390, 16 bytes long.
 Data: <P &#208;&#237;&#246;           > 50 04 D0 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000014B60C8ADF0, 16 bytes long.
 Data: <0 &#208;&#237;&#246;           > 30 04 D0 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000014B60C8AC10, 16 bytes long.
 Data: <&#224; &#208;&#237;&#246;           > E0 02 D0 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000014B60C8B110, 16 bytes long.
 Data: <  &#208;&#237;&#246;           > 10 04 D0 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000014B60C8A8F0, 16 bytes long.
 Data: <p &#208;&#237;&#246;           > 70 04 D0 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000014B60C8A990, 16 bytes long.
 Data: < &#192;&#206;&#237;&#246;           > 18 C0 CE ED F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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