Task 38686420

Name test_905-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND0235_0
Workunit 31627852
Created 28 Oct 2026, 2:24:24 UTC
Sent 28 Oct 2026, 2:24:30 UTC
Report deadline 2 Nov 2026, 2:24:30 UTC
Received 28 Oct 2026, 12:30:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 557886
Run time 3 hours 32 min 54 sec
CPU time 3 hours 7 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,377.36 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 671.33 MB
Peak swap size 3.72 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.20.2</core_client_version>
<![CDATA[
<stderr_txt>
09:59:35 (23624): wrapper (7.9.26016): starting
09:59:35 (23624): 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
09:59:39 (23624): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:59:39 (23624): 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
13:29:31 (23624): C:/Windows/system32/cmd.exe exited; CPU time 11231.343750
13:29:31 (23624): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 163001657 bytes.
Dumping objects ->
{3835663} normal block at 0x000001391F131410, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835652} normal block at 0x000001391F130B50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835641} normal block at 0x000001391F131090, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835630} normal block at 0x000001391F130AE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835619} normal block at 0x000001391F1313A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835588} normal block at 0x000001391F225AD0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835577} normal block at 0x000001391F2402D0, 102 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) : {3835574} normal block at 0x000001391D669460, 8 bytes long.
 Data: <  &#248; 9   > 00 00 F8 1E 39 01 00 00 
{3834732} normal block at 0x000001391F240220, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x000001391D668C90, 8 bytes long.
 Data: <@&#196;i 9   > 40 C4 69 1D 39 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001391D674620, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001391D675560, 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 0x000001391D675C00, 16 bytes long.
 Data: <Hig 9           > 48 69 67 1D 39 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001391D675980, 16 bytes long.
 Data: < ig 9           > 20 69 67 1D 39 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001391D66EE50, 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 0x000001391D676470, 16 bytes long.
 Data: <&#248;hg 9           > F8 68 67 1D 39 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001391D6757A0, 16 bytes long.
 Data: <&#208;hg 9           > D0 68 67 1D 39 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001391D675AC0, 16 bytes long.
 Data: <&#168;hg 9           > A8 68 67 1D 39 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001391D675A20, 16 bytes long.
 Data: < hg 9           > 80 68 67 1D 39 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001391D66D7D0, 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 0x000001391D676330, 16 bytes long.
 Data: <&#248;Tg 9           > F8 54 67 1D 39 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001391D66EDF0, 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 0x000001391D6762E0, 16 bytes long.
 Data: <&#208;Tg 9           > D0 54 67 1D 39 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001391D676290, 16 bytes long.
 Data: <&#168;Tg 9           > A8 54 67 1D 39 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001391D6758E0, 16 bytes long.
 Data: < Tg 9           > 80 54 67 1D 39 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001391D6759D0, 16 bytes long.
 Data: <XTg 9           > 58 54 67 1D 39 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001391D675D90, 16 bytes long.
 Data: <0Tg 9           > 30 54 67 1D 39 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001391D676240, 16 bytes long.
 Data: < Tg 9           > 08 54 67 1D 39 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001391D66F210, 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 0x000001391D6763D0, 16 bytes long.
 Data: <&#224;Sg 9           > E0 53 67 1D 39 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001391D6753E0, 320 bytes long.
 Data: <&#208;cg 9    &#242;f 9   > D0 63 67 1D 39 01 00 00 10 F2 66 1D 39 01 00 00 
{272} normal block at 0x000001391D6761A0, 16 bytes long.
 Data: <`hg 9           > 60 68 67 1D 39 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001391D675A70, 16 bytes long.
 Data: <8hg 9           > 38 68 67 1D 39 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001391D66F8D0, 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 0x000001391D675750, 16 bytes long.
 Data: < hg 9           > 10 68 67 1D 39 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001391D66F870, 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 0x000001391D675660, 16 bytes long.
 Data: <Xgg 9           > 58 67 67 1D 39 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001391D676150, 16 bytes long.
 Data: <0gg 9           > 30 67 67 1D 39 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001391D675840, 16 bytes long.
 Data: < gg 9           > 08 67 67 1D 39 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001391D675930, 16 bytes long.
 Data: <&#224;fg 9           > E0 66 67 1D 39 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001391D6765B0, 16 bytes long.
 Data: <&#184;fg 9           > B8 66 67 1D 39 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001391D675700, 16 bytes long.
 Data: < fg 9           > 90 66 67 1D 39 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001391D675F70, 16 bytes long.
 Data: <0&#220;f 9           > 30 DC 66 1D 39 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001391D66DC30, 40 bytes long.
 Data: <p_g 9   &#208;Z" 9   > 70 5F 67 1D 39 01 00 00 D0 5A 22 1F 39 01 00 00 
{258} normal block at 0x000001391D675890, 16 bytes long.
 Data: <pfg 9           > 70 66 67 1D 39 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001391D676420, 16 bytes long.
 Data: <Hfg 9           > 48 66 67 1D 39 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001391D66F1B0, 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 0x000001391D6756B0, 16 bytes long.
 Data: < fg 9           > 20 66 67 1D 39 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001391D676620, 992 bytes long.
 Data: <&#176;Vg 9   &#176;&#241;f 9   > B0 56 67 1D 39 01 00 00 B0 F1 66 1D 39 01 00 00 
{90} normal block at 0x000001391D66F150, 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 0x000001391D668A60, 16 bytes long.
 Data: < &#214;f 9           > 80 D6 66 1D 39 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001391D66D680, 40 bytes long.
 Data: <`&#138;f 9   P&#241;f 9   > 60 8A 66 1D 39 01 00 00 50 F1 66 1D 39 01 00 00 
{67} normal block at 0x000001391D6689C0, 16 bytes long.
 Data: < &#234;@&#230;&#247;           > 80 EA 40 E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001391D668BF0, 16 bytes long.
 Data: <@&#233;@&#230;&#247;           > 40 E9 40 E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001391D668BA0, 16 bytes long.
 Data: <&#248;W=&#230;&#247;           > F8 57 3D E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001391D669370, 16 bytes long.
 Data: <&#216;W=&#230;&#247;           > D8 57 3D E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001391D668970, 16 bytes long.
 Data: <P =&#230;&#247;           > 50 04 3D E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001391D6691E0, 16 bytes long.
 Data: <0 =&#230;&#247;           > 30 04 3D E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001391D6690A0, 16 bytes long.
 Data: <&#224; =&#230;&#247;           > E0 02 3D E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001391D669050, 16 bytes long.
 Data: <  =&#230;&#247;           > 10 04 3D E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001391D669140, 16 bytes long.
 Data: <p =&#230;&#247;           > 70 04 3D E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001391D668B50, 16 bytes long.
 Data: < &#192;;&#230;&#247;           > 18 C0 3B E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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