Task 38686670

Name test_679-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND7289_0
Workunit 31628092
Created 28 Oct 2026, 3:49:40 UTC
Sent 28 Oct 2026, 3:49:46 UTC
Report deadline 2 Nov 2026, 3:49:46 UTC
Received 28 Oct 2026, 12:06:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 561610
Run time 43 min 19 sec
CPU time 40 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,156.89 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 687.25 MB
Peak swap size 5.22 GB
Peak disk usage 3.49 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
07:22:27 (251196): wrapper (7.9.26016): starting
07:22:27 (251196): 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
07:22:29 (251196): Library/usr/bin/tar.exe exited; CPU time 0.031250
07:22:29 (251196): 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\1\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\1\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
08:05:23 (251196): C:/Windows/system32/cmd.exe exited; CPU time 2458.484375
08:05:23 (251196): 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: 55079407 bytes.
Dumping objects ->
{3835212} normal block at 0x00000225ED81A100, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x00000225ED81A090, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x00000225ED81AAA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835179} normal block at 0x00000225ED81A6B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835168} normal block at 0x00000225ED81A480, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835137} normal block at 0x00000225ED825090, 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) : {3835124} normal block at 0x00000225EBC2E2D0, 8 bytes long.
 Data: <   &#236;%   > 00 00 0F EC 25 02 00 00 
{3833965} normal block at 0x00000225EBC2E1E0, 8 bytes long.
 Data: <0Y&#195;&#235;%   > 30 59 C3 EB 25 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000225EBC31C20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000225EBC26940, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x00000225EBC36A90, 16 bytes long.
 Data: <&#216;r&#195;&#235;%           > D8 72 C3 EB 25 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000225EBC364F0, 16 bytes long.
 Data: <&#176;r&#195;&#235;%           > B0 72 C3 EB 25 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000225EBC2FB30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x00000225EBC364A0, 16 bytes long.
 Data: < r&#195;&#235;%           > 88 72 C3 EB 25 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000225EBC362C0, 16 bytes long.
 Data: <`r&#195;&#235;%           > 60 72 C3 EB 25 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000225EBC36EA0, 16 bytes long.
 Data: <8r&#195;&#235;%           > 38 72 C3 EB 25 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000225EBC36D10, 16 bytes long.
 Data: < r&#195;&#235;%           > 10 72 C3 EB 25 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000225EBC346B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x00000225EBC36C20, 16 bytes long.
 Data: <&#232;&#239;&#193;&#235;%           > E8 EF C1 EB 25 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000225EBC2FE90, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x00000225EBC36180, 16 bytes long.
 Data: <&#192;&#239;&#193;&#235;%           > C0 EF C1 EB 25 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000225EBC36450, 16 bytes long.
 Data: < &#239;&#193;&#235;%           > 98 EF C1 EB 25 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000225EBC36540, 16 bytes long.
 Data: <p&#239;&#193;&#235;%           > 70 EF C1 EB 25 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000225EBC36400, 16 bytes long.
 Data: <H&#239;&#193;&#235;%           > 48 EF C1 EB 25 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000225EBC366D0, 16 bytes long.
 Data: < &#239;&#193;&#235;%           > 20 EF C1 EB 25 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000225EBC36A40, 16 bytes long.
 Data: <&#248;&#238;&#193;&#235;%           > F8 EE C1 EB 25 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000225EBC2FE30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x00000225EBC36BD0, 16 bytes long.
 Data: <&#208;&#238;&#193;&#235;%           > D0 EE C1 EB 25 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000225EBC1EED0, 320 bytes long.
 Data: <&#208;k&#195;&#235;%   0&#254;&#194;&#235;%   > D0 6B C3 EB 25 02 00 00 30 FE C2 EB 25 02 00 00 
{278} normal block at 0x00000225EBC36DB0, 16 bytes long.
 Data: <&#240;q&#195;&#235;%           > F0 71 C3 EB 25 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000225EBC36C70, 16 bytes long.
 Data: <&#200;q&#195;&#235;%           > C8 71 C3 EB 25 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000225EBC2FA70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x00000225EBC36220, 16 bytes long.
 Data: <&#160;q&#195;&#235;%           > A0 71 C3 EB 25 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000225EBC30250, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x00000225EBC36680, 16 bytes long.
 Data: <&#232;p&#195;&#235;%           > E8 70 C3 EB 25 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000225EBC36630, 16 bytes long.
 Data: <&#192;p&#195;&#235;%           > C0 70 C3 EB 25 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000225EBC36270, 16 bytes long.
 Data: < p&#195;&#235;%           > 98 70 C3 EB 25 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000225EBC369F0, 16 bytes long.
 Data: <pp&#195;&#235;%           > 70 70 C3 EB 25 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000225EBC36130, 16 bytes long.
 Data: <Hp&#195;&#235;%           > 48 70 C3 EB 25 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000225EBC36B80, 16 bytes long.
 Data: < p&#195;&#235;%           > 20 70 C3 EB 25 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000225EBC36CC0, 16 bytes long.
 Data: <`E&#195;&#235;%           > 60 45 C3 EB 25 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000225EBC34560, 40 bytes long.
 Data: <&#192;l&#195;&#235;%    P&#130;&#237;%   > C0 6C C3 EB 25 02 00 00 90 50 82 ED 25 02 00 00 
{264} normal block at 0x00000225EBC36F40, 16 bytes long.
 Data: < p&#195;&#235;%           > 00 70 C3 EB 25 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000225EBC36D60, 16 bytes long.
 Data: <&#216;o&#195;&#235;%           > D8 6F C3 EB 25 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000225EBC2FD70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x00000225EBC361D0, 16 bytes long.
 Data: <&#176;o&#195;&#235;%           > B0 6F C3 EB 25 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000225EBC36FB0, 992 bytes long.
 Data: <&#208;a&#195;&#235;%   p&#253;&#194;&#235;%   > D0 61 C3 EB 25 02 00 00 70 FD C2 EB 25 02 00 00 
{96} normal block at 0x00000225EBC2FEF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x00000225EBC2E5F0, 16 bytes long.
 Data: <&#208;E&#195;&#235;%           > D0 45 C3 EB 25 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000225EBC345D0, 40 bytes long.
 Data: <&#240;&#229;&#194;&#235;%   &#240;&#254;&#194;&#235;%   > F0 E5 C2 EB 25 02 00 00 F0 FE C2 EB 25 02 00 00 
{73} normal block at 0x00000225EBC2E0F0, 16 bytes long.
 Data: < &#234;&#134;B&#247;           > 80 EA 86 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000225EBC2DF60, 16 bytes long.
 Data: <@&#233;&#134;B&#247;           > 40 E9 86 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000225EBC2E0A0, 16 bytes long.
 Data: <&#248;W&#131;B&#247;           > F8 57 83 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000225EBC2DEC0, 16 bytes long.
 Data: <&#216;W&#131;B&#247;           > D8 57 83 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000225EBC2E410, 16 bytes long.
 Data: <P &#131;B&#247;           > 50 04 83 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000225EBC2D9C0, 16 bytes long.
 Data: <0 &#131;B&#247;           > 30 04 83 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000225EBC2D920, 16 bytes long.
 Data: <&#224; &#131;B&#247;           > E0 02 83 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000225EBC2DF10, 16 bytes long.
 Data: <  &#131;B&#247;           > 10 04 83 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000225EBC2E550, 16 bytes long.
 Data: <p &#131;B&#247;           > 70 04 83 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000225EBC2DB50, 16 bytes long.
 Data: < &#192; B&#247;           > 18 C0 81 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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