Task 38687554

Name test_989-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND6001_0
Workunit 31628940
Created 28 Oct 2026, 8:27:07 UTC
Sent 28 Oct 2026, 8:27:12 UTC
Report deadline 2 Nov 2026, 8:27:12 UTC
Received 28 Oct 2026, 8:43:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652094
Run time 15 min 52 sec
CPU time 14 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,481.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 770.79 MB
Peak swap size 13.02 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
09:27:58 (20332): wrapper (7.9.26016): starting
09:27:58 (20332): 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
09:27:59 (20332): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:27:59 (20332): 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\0\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\0\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
09:43:11 (20332): C:/Windows/system32/cmd.exe exited; CPU time 898.406250
09:43:11 (20332): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 bytes in 8 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: 22105586 bytes.
Dumping objects ->
{3835546} normal block at 0x0000020867A84970, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835535} normal block at 0x0000020867A84740, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835524} normal block at 0x0000020867A84A50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835513} normal block at 0x0000020867A846D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835502} normal block at 0x0000020867A84900, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835471} normal block at 0x0000020869863C40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x000002086987C560, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835457} normal block at 0x0000020867A7EAE0, 8 bytes long.
 Data: <  Pi    > 00 00 50 69 08 02 00 00 
{3834685} normal block at 0x000002086987D3C0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000020867A7EA40, 8 bytes long.
 Data: <&#240;0&#140;i    > F0 30 8C 69 08 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000020867A81500, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020867A76610, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000020867A85830, 16 bytes long.
 Data: < g&#168;g            > 08 67 A8 67 08 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020867A85470, 16 bytes long.
 Data: <&#224;f&#168;g            > E0 66 A8 67 08 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020867A7FAF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000020867A85420, 16 bytes long.
 Data: <&#184;f&#168;g            > B8 66 A8 67 08 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020867A86190, 16 bytes long.
 Data: < f&#168;g            > 90 66 A8 67 08 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020867A86140, 16 bytes long.
 Data: <hf&#168;g            > 68 66 A8 67 08 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020867A85920, 16 bytes long.
 Data: <@f&#168;g            > 40 66 A8 67 08 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020867A84C10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000020867A86370, 16 bytes long.
 Data: <&#232;&#229;&#167;g            > E8 E5 A7 67 08 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020867A80270, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000020867A85CE0, 16 bytes long.
 Data: <&#192;&#229;&#167;g            > C0 E5 A7 67 08 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020867A860F0, 16 bytes long.
 Data: < &#229;&#167;g            > 98 E5 A7 67 08 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020867A85880, 16 bytes long.
 Data: <p&#229;&#167;g            > 70 E5 A7 67 08 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020867A85B50, 16 bytes long.
 Data: <H&#229;&#167;g            > 48 E5 A7 67 08 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020867A86320, 16 bytes long.
 Data: < &#229;&#167;g            > 20 E5 A7 67 08 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020867A85A10, 16 bytes long.
 Data: <&#248;&#228;&#167;g            > F8 E4 A7 67 08 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020867A80090, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000020867A85600, 16 bytes long.
 Data: <&#208;&#228;&#167;g            > D0 E4 A7 67 08 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020867A7E4D0, 320 bytes long.
 Data: < V&#168;g      &#168;g    > 00 56 A8 67 08 02 00 00 90 00 A8 67 08 02 00 00 
{276} normal block at 0x0000020867A85F10, 16 bytes long.
 Data: < f&#168;g            > 20 66 A8 67 08 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020867A857E0, 16 bytes long.
 Data: <&#248;e&#168;g            > F8 65 A8 67 08 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020867A80150, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000020867A85EC0, 16 bytes long.
 Data: <&#208;e&#168;g            > D0 65 A8 67 08 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020867A7F970, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000020867A858D0, 16 bytes long.
 Data: < e&#168;g            > 18 65 A8 67 08 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020867A862D0, 16 bytes long.
 Data: <&#240;d&#168;g            > F0 64 A8 67 08 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020867A85E70, 16 bytes long.
 Data: <&#200;d&#168;g            > C8 64 A8 67 08 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020867A85C40, 16 bytes long.
 Data: <&#160;d&#168;g            > A0 64 A8 67 08 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020867A859C0, 16 bytes long.
 Data: <xd&#168;g            > 78 64 A8 67 08 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020867A86000, 16 bytes long.
 Data: <Pd&#168;g            > 50 64 A8 67 08 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020867A860A0, 16 bytes long.
 Data: <0K&#168;g            > 30 4B A8 67 08 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020867A84B30, 40 bytes long.
 Data: <&#160;`&#168;g    @<&#134;i    > A0 60 A8 67 08 02 00 00 40 3C 86 69 08 02 00 00 
{262} normal block at 0x0000020867A85B00, 16 bytes long.
 Data: <0d&#168;g            > 30 64 A8 67 08 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020867A86280, 16 bytes long.
 Data: < d&#168;g            > 08 64 A8 67 08 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020867A80390, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000020867A86230, 16 bytes long.
 Data: <&#224;c&#168;g            > E0 63 A8 67 08 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020867A863E0, 992 bytes long.
 Data: <0b&#168;g      &#168;g    > 30 62 A8 67 08 02 00 00 90 03 A8 67 08 02 00 00 
{94} normal block at 0x0000020867A80570, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000020867A7F2B0, 16 bytes long.
 Data: < &#238;&#166;g            > 20 EE A6 67 08 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000020867A6EE20, 40 bytes long.
 Data: <&#176;&#242;&#167;g    p &#168;g    > B0 F2 A7 67 08 02 00 00 70 05 A8 67 08 02 00 00 
{71} normal block at 0x0000020867A7F490, 16 bytes long.
 Data: < &#234;&#148;K&#247;           > 80 EA 94 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020867A7F170, 16 bytes long.
 Data: <@&#233;&#148;K&#247;           > 40 E9 94 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020867A7F120, 16 bytes long.
 Data: <&#248;W&#145;K&#247;           > F8 57 91 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020867A7EFE0, 16 bytes long.
 Data: <&#216;W&#145;K&#247;           > D8 57 91 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020867A7EC70, 16 bytes long.
 Data: <P &#145;K&#247;           > 50 04 91 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020867A7F0D0, 16 bytes long.
 Data: <0 &#145;K&#247;           > 30 04 91 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020867A7F1C0, 16 bytes long.
 Data: <&#224; &#145;K&#247;           > E0 02 91 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020867A7EF40, 16 bytes long.
 Data: <  &#145;K&#247;           > 10 04 91 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020867A7F440, 16 bytes long.
 Data: <p &#145;K&#247;           > 70 04 91 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020867A7E7C0, 16 bytes long.
 Data: < &#192; K&#247;           > 18 C0 8F 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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