Task 38667887

Name test_208-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND1599_0
Workunit 31610466
Created 25 Oct 2026, 9:49:45 UTC
Sent 25 Oct 2026, 9:50:02 UTC
Report deadline 30 Oct 2026, 9:50:02 UTC
Received 25 Oct 2026, 10:29:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651274
Run time 26 min 31 sec
CPU time 24 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,502.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 721.19 MB
Peak swap size 6.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:03:36 (89784): wrapper (7.9.26016): starting
05:03:36 (89784): 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
05:03:37 (89784): Library/usr/bin/tar.exe exited; CPU time 0.015625
05:03:37 (89784): 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
05:28:59 (89784): C:/Windows/system32/cmd.exe exited; CPU time 1482.187500
05:28:59 (89784): 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: 26951677 bytes.
Dumping objects ->
{3835249} normal block at 0x0000020F2A41D140, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835238} normal block at 0x0000020F287C4A50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x0000020F287C49E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835216} normal block at 0x0000020F287C4970, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x0000020F287C4890, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835174} normal block at 0x0000020F2A4662F0, 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) : {3835161} normal block at 0x0000020F287C0A40, 8 bytes long.
 Data: <  &#213;(    > 00 00 D5 28 0F 02 00 00 
{3833955} normal block at 0x0000020F287C0C70, 8 bytes long.
 Data: <`&#235;&#137;(    > 60 EB 89 28 0F 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000020F287B6840, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020F287B6E50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000020F287C65E0, 16 bytes long.
 Data: < V|(            > 88 56 7C 28 0F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020F287C5F00, 16 bytes long.
 Data: <`V|(            > 60 56 7C 28 0F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020F287BFC00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000020F287C5C30, 16 bytes long.
 Data: <8V|(            > 38 56 7C 28 0F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020F287C59B0, 16 bytes long.
 Data: < V|(            > 10 56 7C 28 0F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020F287C5EB0, 16 bytes long.
 Data: <&#232;U|(            > E8 55 7C 28 0F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020F287C5960, 16 bytes long.
 Data: <&#192;U|(            > C0 55 7C 28 0F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020F287C4AC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000020F287C5910, 16 bytes long.
 Data: <&#184;&#159;{(            > B8 9F 7B 28 0F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020F287BFB40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000020F287C64A0, 16 bytes long.
 Data: < &#159;{(            > 90 9F 7B 28 0F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020F287C5FF0, 16 bytes long.
 Data: <h&#159;{(            > 68 9F 7B 28 0F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020F287C5FA0, 16 bytes long.
 Data: <@&#159;{(            > 40 9F 7B 28 0F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020F287C5F50, 16 bytes long.
 Data: < &#159;{(            > 18 9F 7B 28 0F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020F287C60E0, 16 bytes long.
 Data: <&#240;&#158;{(            > F0 9E 7B 28 0F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020F287C6270, 16 bytes long.
 Data: <&#200;&#158;{(            > C8 9E 7B 28 0F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020F287C05C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000020F287C5D70, 16 bytes long.
 Data: <&#160;&#158;{(            > A0 9E 7B 28 0F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020F287B9EA0, 320 bytes long.
 Data: <p]|(    &#192; |(    > 70 5D 7C 28 0F 02 00 00 C0 05 7C 28 0F 02 00 00 
{273} normal block at 0x0000020F287C5D20, 16 bytes long.
 Data: <&#160;U|(            > A0 55 7C 28 0F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020F287C6090, 16 bytes long.
 Data: <xU|(            > 78 55 7C 28 0F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020F287BF7E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000020F287C5CD0, 16 bytes long.
 Data: <PU|(            > 50 55 7C 28 0F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020F287BFD20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000020F287C5BE0, 16 bytes long.
 Data: < T|(            > 98 54 7C 28 0F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020F287C6040, 16 bytes long.
 Data: <pT|(            > 70 54 7C 28 0F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020F287C6450, 16 bytes long.
 Data: <HT|(            > 48 54 7C 28 0F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020F287C5B90, 16 bytes long.
 Data: < T|(            > 20 54 7C 28 0F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020F287C1620, 16 bytes long.
 Data: <&#248;S|(            > F8 53 7C 28 0F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020F287C1300, 16 bytes long.
 Data: <&#208;S|(            > D0 53 7C 28 0F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020F287C1210, 16 bytes long.
 Data: <&#240;E|(            > F0 45 7C 28 0F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020F287C45F0, 40 bytes long.
 Data: <  |(    &#240;bF*    > 10 12 7C 28 0F 02 00 00 F0 62 46 2A 0F 02 00 00 
{259} normal block at 0x0000020F287C1120, 16 bytes long.
 Data: <&#176;S|(            > B0 53 7C 28 0F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020F287C10D0, 16 bytes long.
 Data: < S|(            > 88 53 7C 28 0F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020F287C0140, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000020F287C07C0, 16 bytes long.
 Data: <`S|(            > 60 53 7C 28 0F 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020F287C5360, 992 bytes long.
 Data: <&#192; |(    @ |(    > C0 07 7C 28 0F 02 00 00 40 01 7C 28 0F 02 00 00 
{91} normal block at 0x0000020F287C02C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000020F287C0A90, 16 bytes long.
 Data: < &#227;z(            > 20 E3 7A 28 0F 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000020F287AE320, 40 bytes long.
 Data: <  |(    &#192; |(    > 90 0A 7C 28 0F 02 00 00 C0 02 7C 28 0F 02 00 00 
{68} normal block at 0x0000020F287C0C20, 16 bytes long.
 Data: < &#234;&#184;&#171;&#246;           > 80 EA B8 AB F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020F287C0E00, 16 bytes long.
 Data: <@&#233;&#184;&#171;&#246;           > 40 E9 B8 AB F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020F287C09F0, 16 bytes long.
 Data: <&#248;W&#181;&#171;&#246;           > F8 57 B5 AB F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020F287C0EF0, 16 bytes long.
 Data: <&#216;W&#181;&#171;&#246;           > D8 57 B5 AB F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020F287C0860, 16 bytes long.
 Data: <P &#181;&#171;&#246;           > 50 04 B5 AB F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020F287C0810, 16 bytes long.
 Data: <0 &#181;&#171;&#246;           > 30 04 B5 AB F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020F287C0DB0, 16 bytes long.
 Data: <&#224; &#181;&#171;&#246;           > E0 02 B5 AB F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020F287C0EA0, 16 bytes long.
 Data: <  &#181;&#171;&#246;           > 10 04 B5 AB F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020F287C09A0, 16 bytes long.
 Data: <p &#181;&#171;&#246;           > 70 04 B5 AB F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020F287C08B0, 16 bytes long.
 Data: < &#192;&#179;&#171;&#246;           > 18 C0 B3 AB F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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