Task 38671866

Name test_298-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND8529_0
Workunit 31614049
Created 25 Oct 2026, 21:49:07 UTC
Sent 25 Oct 2026, 21:49:16 UTC
Report deadline 30 Oct 2026, 21:49:16 UTC
Received 25 Oct 2026, 23:19:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648022
Run time 29 min 2 sec
CPU time 27 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 18,986.54 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 806.40 MB
Peak swap size 10.01 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:51:05 (38636): wrapper (7.9.26016): starting
00:51:05 (38636): 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
00:51:06 (38636): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:51:06 (38636): 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
01:19:23 (38636): C:/Windows/system32/cmd.exe exited; CPU time 1622.500000
01:19:23 (38636): 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: 48637383 bytes.
Dumping objects ->
{3835491} normal block at 0x000002189E25D2E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835480} normal block at 0x000002189E25D350, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835469} normal block at 0x000002189E25CF60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835458} normal block at 0x000002189C454840, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835447} normal block at 0x000002189C454E60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835416} normal block at 0x000002189E2A4D80, 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) : {3835403} normal block at 0x000002189C44EB90, 8 bytes long.
 Data: <  &#154;&#156;    > 00 00 9A 9C 18 02 00 00 
{3833963} normal block at 0x000002189C44F4F0, 8 bytes long.
 Data: <0AE&#156;    > 30 41 45 9C 18 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002189C44DC10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002189C43E3A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000002189C4555C0, 16 bytes long.
 Data: < hE&#156;            > 08 68 45 9C 18 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002189C456010, 16 bytes long.
 Data: <&#224;gE&#156;            > E0 67 45 9C 18 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002189C44FE40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000002189C455DE0, 16 bytes long.
 Data: <&#184;gE&#156;            > B8 67 45 9C 18 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002189C456290, 16 bytes long.
 Data: < gE&#156;            > 90 67 45 9C 18 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002189C455890, 16 bytes long.
 Data: <hgE&#156;            > 68 67 45 9C 18 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002189C455FC0, 16 bytes long.
 Data: <@gE&#156;            > 40 67 45 9C 18 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002189C454CA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000002189C456330, 16 bytes long.
 Data: <  D&#156;            > 18 8F 44 9C 18 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002189C44FEA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000002189C4561F0, 16 bytes long.
 Data: <&#240;&#142;D&#156;            > F0 8E 44 9C 18 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002189C4560B0, 16 bytes long.
 Data: <&#200;&#142;D&#156;            > C8 8E 44 9C 18 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002189C4557A0, 16 bytes long.
 Data: <&#160;&#142;D&#156;            > A0 8E 44 9C 18 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002189C4556B0, 16 bytes long.
 Data: <x&#142;D&#156;            > 78 8E 44 9C 18 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002189C4563D0, 16 bytes long.
 Data: <P&#142;D&#156;            > 50 8E 44 9C 18 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002189C455ED0, 16 bytes long.
 Data: <(&#142;D&#156;            > 28 8E 44 9C 18 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002189C4504A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000002189C455570, 16 bytes long.
 Data: < &#142;D&#156;            > 00 8E 44 9C 18 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002189C448E00, 320 bytes long.
 Data: <pUE&#156;    &#160; E&#156;    > 70 55 45 9C 18 02 00 00 A0 04 45 9C 18 02 00 00 
{277} normal block at 0x000002189C455840, 16 bytes long.
 Data: < gE&#156;            > 20 67 45 9C 18 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002189C456150, 16 bytes long.
 Data: <&#248;fE&#156;            > F8 66 45 9C 18 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002189C44FD80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000002189C455520, 16 bytes long.
 Data: <&#208;fE&#156;            > D0 66 45 9C 18 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002189C450380, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000002189C455D90, 16 bytes long.
 Data: < fE&#156;            > 18 66 45 9C 18 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002189C455A20, 16 bytes long.
 Data: <&#240;eE&#156;            > F0 65 45 9C 18 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002189C455BB0, 16 bytes long.
 Data: <&#200;eE&#156;            > C8 65 45 9C 18 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002189C455B60, 16 bytes long.
 Data: <&#160;eE&#156;            > A0 65 45 9C 18 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002189C456380, 16 bytes long.
 Data: <xeE&#156;            > 78 65 45 9C 18 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002189C455930, 16 bytes long.
 Data: <PeE&#156;            > 50 65 45 9C 18 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002189C456420, 16 bytes long.
 Data: < ME&#156;            > 10 4D 45 9C 18 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002189C454D10, 40 bytes long.
 Data: < dE&#156;     M*&#158;    > 20 64 45 9C 18 02 00 00 80 4D 2A 9E 18 02 00 00 
{263} normal block at 0x000002189C455F20, 16 bytes long.
 Data: <0eE&#156;            > 30 65 45 9C 18 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002189C456470, 16 bytes long.
 Data: < eE&#156;            > 08 65 45 9C 18 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002189C4502C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000002189C455F70, 16 bytes long.
 Data: <&#224;dE&#156;            > E0 64 45 9C 18 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002189C4564E0, 992 bytes long.
 Data: <p_E&#156;    &#192; E&#156;    > 70 5F 45 9C 18 02 00 00 C0 02 45 9C 18 02 00 00 
{95} normal block at 0x000002189C450560, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000002189C44F270, 16 bytes long.
 Data: <`GE&#156;            > 60 47 45 9C 18 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002189C454760, 40 bytes long.
 Data: <p&#242;D&#156;    ` E&#156;    > 70 F2 44 9C 18 02 00 00 60 05 45 9C 18 02 00 00 
{72} normal block at 0x000002189C44F540, 16 bytes long.
 Data: < &#234;&#249;P&#246;           > 80 EA F9 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002189C44F4A0, 16 bytes long.
 Data: <@&#233;&#249;P&#246;           > 40 E9 F9 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002189C44F400, 16 bytes long.
 Data: <&#248;W&#246;P&#246;           > F8 57 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002189C44F180, 16 bytes long.
 Data: <&#216;W&#246;P&#246;           > D8 57 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002189C44F220, 16 bytes long.
 Data: <P &#246;P&#246;           > 50 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002189C44F450, 16 bytes long.
 Data: <0 &#246;P&#246;           > 30 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002189C44F630, 16 bytes long.
 Data: <&#224; &#246;P&#246;           > E0 02 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002189C44EC80, 16 bytes long.
 Data: <  &#246;P&#246;           > 10 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002189C44F860, 16 bytes long.
 Data: <p &#246;P&#246;           > 70 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002189C44F770, 16 bytes long.
 Data: < &#192;&#244;P&#246;           > 18 C0 F4 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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