Task 38679381

Name test_501-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND2082_0
Workunit 31621157
Created 26 Oct 2026, 20:21:43 UTC
Sent 26 Oct 2026, 20:21:45 UTC
Report deadline 31 Oct 2026, 20:21:45 UTC
Received 26 Oct 2026, 22:02:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653122
Run time 25 min 20 sec
CPU time 22 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 47,850.03 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 735.46 MB
Peak swap size 9.99 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:38:22 (2932): wrapper (7.9.26016): starting
22:38:22 (2932): 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
22:38:23 (2932): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:38:23 (2932): 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
23:02:09 (2932): C:/Windows/system32/cmd.exe exited; CPU time 1337.546875
23:02:09 (2932): 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: 29288959 bytes.
Dumping objects ->
{3835202} normal block at 0x0000021DF2FACE00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x0000021DF2FAD180, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835180} normal block at 0x0000021DF2FAD8F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835169} normal block at 0x0000021DF2FAD570, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835158} normal block at 0x0000021DF13E4C50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835127} normal block at 0x0000021DF2FF7DD0, 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) : {3835114} normal block at 0x0000021DF13DF7B0, 8 bytes long.
 Data: <  :&#241;    > 00 00 3A F1 1D 02 00 00 
{3833965} normal block at 0x0000021DF13DED60, 8 bytes long.
 Data: <pP &#243;    > 70 50 05 F3 1D 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000021DF13E0CC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000021DF13D0870, 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 0x0000021DF13E6760, 16 bytes long.
 Data: <&#184;W>&#241;            > B8 57 3E F1 1D 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000021DF13E6710, 16 bytes long.
 Data: < W>&#241;            > 90 57 3E F1 1D 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021DF13DD650, 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 0x0000021DF13E5F40, 16 bytes long.
 Data: <hW>&#241;            > 68 57 3E F1 1D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021DF13E6170, 16 bytes long.
 Data: <@W>&#241;            > 40 57 3E F1 1D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021DF13E67B0, 16 bytes long.
 Data: < W>&#241;            > 18 57 3E F1 1D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021DF13E6620, 16 bytes long.
 Data: <&#240;V>&#241;            > F0 56 3E F1 1D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021DF13E4860, 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 0x0000021DF13E6440, 16 bytes long.
 Data: < &#245;<&#241;            > 98 F5 3C F1 1D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021DF13DD530, 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 0x0000021DF13E5EA0, 16 bytes long.
 Data: <p&#245;<&#241;            > 70 F5 3C F1 1D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021DF13E65D0, 16 bytes long.
 Data: <H&#245;<&#241;            > 48 F5 3C F1 1D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021DF13E5FE0, 16 bytes long.
 Data: < &#245;<&#241;            > 20 F5 3C F1 1D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021DF13E6670, 16 bytes long.
 Data: <&#248;&#244;<&#241;            > F8 F4 3C F1 1D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021DF13E6850, 16 bytes long.
 Data: <&#208;&#244;<&#241;            > D0 F4 3C F1 1D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021DF13E66C0, 16 bytes long.
 Data: <&#168;&#244;<&#241;            > A8 F4 3C F1 1D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021DF13DD710, 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 0x0000021DF13E5DB0, 16 bytes long.
 Data: < &#244;<&#241;            > 80 F4 3C F1 1D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021DF13CF480, 320 bytes long.
 Data: <&#176;]>&#241;     &#215;=&#241;    > B0 5D 3E F1 1D 02 00 00 10 D7 3D F1 1D 02 00 00 
{278} normal block at 0x0000021DF13E5EF0, 16 bytes long.
 Data: <&#208;V>&#241;            > D0 56 3E F1 1D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021DF13E6120, 16 bytes long.
 Data: <&#168;V>&#241;            > A8 56 3E F1 1D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021DF13DDD70, 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 0x0000021DF13E5950, 16 bytes long.
 Data: < V>&#241;            > 80 56 3E F1 1D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021DF13DD410, 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 0x0000021DF13E64E0, 16 bytes long.
 Data: <&#200;U>&#241;            > C8 55 3E F1 1D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021DF13E6260, 16 bytes long.
 Data: <&#160;U>&#241;            > A0 55 3E F1 1D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021DF13E59A0, 16 bytes long.
 Data: <xU>&#241;            > 78 55 3E F1 1D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021DF13E6490, 16 bytes long.
 Data: <PU>&#241;            > 50 55 3E F1 1D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021DF13E6580, 16 bytes long.
 Data: <(U>&#241;            > 28 55 3E F1 1D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021DF13DEC70, 16 bytes long.
 Data: < U>&#241;            > 00 55 3E F1 1D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021DF13DEB30, 16 bytes long.
 Data: < G>&#241;            > 10 47 3E F1 1D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021DF13E4710, 40 bytes long.
 Data: <0&#235;=&#241;    &#208;}&#255;&#242;    > 30 EB 3D F1 1D 02 00 00 D0 7D FF F2 1D 02 00 00 
{264} normal block at 0x0000021DF13DF0D0, 16 bytes long.
 Data: <&#224;T>&#241;            > E0 54 3E F1 1D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021DF13DF9E0, 16 bytes long.
 Data: <&#184;T>&#241;            > B8 54 3E F1 1D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021DF13DD3B0, 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 0x0000021DF13DF940, 16 bytes long.
 Data: < T>&#241;            > 90 54 3E F1 1D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021DF13E5490, 992 bytes long.
 Data: <@&#249;=&#241;    &#176;&#211;=&#241;    > 40 F9 3D F1 1D 02 00 00 B0 D3 3D F1 1D 02 00 00 
{96} normal block at 0x0000021DF13DDDD0, 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 0x0000021DF13DF850, 16 bytes long.
 Data: <&#160;F>&#241;            > A0 46 3E F1 1D 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000021DF13E46A0, 40 bytes long.
 Data: <P&#248;=&#241;    &#208;&#221;=&#241;    > 50 F8 3D F1 1D 02 00 00 D0 DD 3D F1 1D 02 00 00 
{73} normal block at 0x0000021DF13DF6C0, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 98 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000021DF13DF3A0, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 98 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000021DF13DF800, 16 bytes long.
 Data: <&#248;W&#149; &#247;           > F8 57 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000021DF13DF080, 16 bytes long.
 Data: <&#216;W&#149; &#247;           > D8 57 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021DF13DEC20, 16 bytes long.
 Data: <P &#149; &#247;           > 50 04 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021DF13DF760, 16 bytes long.
 Data: <0 &#149; &#247;           > 30 04 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021DF13DF710, 16 bytes long.
 Data: <&#224; &#149; &#247;           > E0 02 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021DF13DECC0, 16 bytes long.
 Data: <  &#149; &#247;           > 10 04 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021DF13DF1C0, 16 bytes long.
 Data: <p &#149; &#247;           > 70 04 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021DF13DF620, 16 bytes long.
 Data: < &#192;&#147; &#247;           > 18 C0 93 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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