Task 38696525

Name test_730-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND2421_0
Workunit 31637153
Created 1 Nov 2026, 1:04:30 UTC
Sent 1 Nov 2026, 1:04:40 UTC
Report deadline 6 Nov 2026, 1:04:40 UTC
Received 1 Nov 2026, 1:34:28 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 512671
Run time 29 min 19 sec
CPU time 28 min 12 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 713.63 MB
Peak swap size 9.82 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:06:07 (303472): wrapper (7.9.26016): starting
21:06:07 (303472): 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
21:06:08 (303472): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:06:08 (303472): 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\25\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\25\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
21:34:07 (303472): C:/Windows/system32/cmd.exe exited; CPU time 1692.765625
21:34:07 (303472): 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: 42715531 bytes.
Dumping objects ->
{3835264} normal block at 0x0000021DF962D5E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835253} normal block at 0x0000021DF78455B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x0000021DF78457E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835231} normal block at 0x0000021DF78454D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x0000021DF7845460, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835189} normal block at 0x0000021DF9674F40, 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) : {3835175} normal block at 0x0000021DF783E370, 8 bytes long.
 Data: <  &#227;&#247;    > 00 00 E3 F7 1D 02 00 00 
{3833965} normal block at 0x0000021DF783E0A0, 8 bytes long.
 Data: < &#221;&#130;&#247;    > 00 DD 82 F7 1D 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000021DF7842190, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000021DF7836770, 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 0x0000021DF78460B0, 16 bytes long.
 Data: < r&#132;&#247;            > 08 72 84 F7 1D 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000021DF7845F70, 16 bytes long.
 Data: <&#224;q&#132;&#247;            > E0 71 84 F7 1D 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021DF7840120, 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 0x0000021DF78465B0, 16 bytes long.
 Data: <&#184;q&#132;&#247;            > B8 71 84 F7 1D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021DF78461A0, 16 bytes long.
 Data: < q&#132;&#247;            > 90 71 84 F7 1D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021DF7845F20, 16 bytes long.
 Data: <hq&#132;&#247;            > 68 71 84 F7 1D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021DF7846B50, 16 bytes long.
 Data: <@q&#132;&#247;            > 40 71 84 F7 1D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021DF7845310, 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 0x0000021DF7846E70, 16 bytes long.
 Data: < &#150;&#131;&#247;            > 88 96 83 F7 1D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021DF783FB20, 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 0x0000021DF7846510, 16 bytes long.
 Data: <`&#150;&#131;&#247;            > 60 96 83 F7 1D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021DF7846AB0, 16 bytes long.
 Data: <8&#150;&#131;&#247;            > 38 96 83 F7 1D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021DF78466A0, 16 bytes long.
 Data: < &#150;&#131;&#247;            > 10 96 83 F7 1D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021DF78462E0, 16 bytes long.
 Data: <&#232;&#149;&#131;&#247;            > E8 95 83 F7 1D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021DF78467E0, 16 bytes long.
 Data: <&#192;&#149;&#131;&#247;            > C0 95 83 F7 1D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021DF7846E20, 16 bytes long.
 Data: < &#149;&#131;&#247;            > 98 95 83 F7 1D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021DF7840180, 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 0x0000021DF7846420, 16 bytes long.
 Data: <p&#149;&#131;&#247;            > 70 95 83 F7 1D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021DF7839570, 320 bytes long.
 Data: < d&#132;&#247;      &#132;&#247;    > 20 64 84 F7 1D 02 00 00 80 01 84 F7 1D 02 00 00 
{278} normal block at 0x0000021DF7846CE0, 16 bytes long.
 Data: < q&#132;&#247;            > 20 71 84 F7 1D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021DF7846D80, 16 bytes long.
 Data: <&#248;p&#132;&#247;            > F8 70 84 F7 1D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021DF783FA60, 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 0x0000021DF7846100, 16 bytes long.
 Data: <&#208;p&#132;&#247;            > D0 70 84 F7 1D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021DF7840360, 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 0x0000021DF78464C0, 16 bytes long.
 Data: < p&#132;&#247;            > 18 70 84 F7 1D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021DF7846DD0, 16 bytes long.
 Data: <&#240;o&#132;&#247;            > F0 6F 84 F7 1D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021DF7846C90, 16 bytes long.
 Data: <&#200;o&#132;&#247;            > C8 6F 84 F7 1D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021DF7846B00, 16 bytes long.
 Data: <&#160;o&#132;&#247;            > A0 6F 84 F7 1D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021DF78463D0, 16 bytes long.
 Data: <xo&#132;&#247;            > 78 6F 84 F7 1D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021DF7846D30, 16 bytes long.
 Data: <Po&#132;&#247;            > 50 6F 84 F7 1D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021DF7846470, 16 bytes long.
 Data: < V&#132;&#247;            > 20 56 84 F7 1D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021DF7845620, 40 bytes long.
 Data: <pd&#132;&#247;    @Og&#249;    > 70 64 84 F7 1D 02 00 00 40 4F 67 F9 1D 02 00 00 
{264} normal block at 0x0000021DF7846790, 16 bytes long.
 Data: <0o&#132;&#247;            > 30 6F 84 F7 1D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021DF7846740, 16 bytes long.
 Data: < o&#132;&#247;            > 08 6F 84 F7 1D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021DF7840720, 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 0x0000021DF7846380, 16 bytes long.
 Data: <&#224;n&#132;&#247;            > E0 6E 84 F7 1D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021DF7846EE0, 992 bytes long.
 Data: < c&#132;&#247;      &#132;&#247;    > 80 63 84 F7 1D 02 00 00 20 07 84 F7 1D 02 00 00 
{96} normal block at 0x0000021DF7840540, 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 0x0000021DF783E500, 16 bytes long.
 Data: <`&#216;&#130;&#247;            > 60 D8 82 F7 1D 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000021DF782D860, 40 bytes long.
 Data: < &#229;&#131;&#247;    @ &#132;&#247;    > 00 E5 83 F7 1D 02 00 00 40 05 84 F7 1D 02 00 00 
{73} normal block at 0x0000021DF783DD80, 16 bytes long.
 Data: < &#234;~&#192;&#247;           > 80 EA 7E C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000021DF783DF10, 16 bytes long.
 Data: <@&#233;~&#192;&#247;           > 40 E9 7E C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000021DF783E280, 16 bytes long.
 Data: <&#248;W{&#192;&#247;           > F8 57 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000021DF783D920, 16 bytes long.
 Data: <&#216;W{&#192;&#247;           > D8 57 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021DF783E4B0, 16 bytes long.
 Data: <P {&#192;&#247;           > 50 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021DF783DEC0, 16 bytes long.
 Data: <0 {&#192;&#247;           > 30 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021DF783DC40, 16 bytes long.
 Data: <&#224; {&#192;&#247;           > E0 02 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021DF783E640, 16 bytes long.
 Data: <  {&#192;&#247;           > 10 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021DF783E230, 16 bytes long.
 Data: <p {&#192;&#247;           > 70 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021DF783DB00, 16 bytes long.
 Data: < &#192;y&#192;&#247;           > 18 C0 79 C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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