Task 38673058

Name test_249-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND4071_0
Workunit 31615164
Created 26 Oct 2026, 1:19:39 UTC
Sent 26 Oct 2026, 1:19:42 UTC
Report deadline 31 Oct 2026, 1:19:42 UTC
Received 26 Oct 2026, 1:42:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648120
Run time 22 min 16 sec
CPU time 18 min 7 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 48,740.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 752.35 MB
Peak swap size 13.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:20:38 (4872): wrapper (7.9.26016): starting
02:20:38 (4872): 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
02:20:39 (4872): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:20:39 (4872): 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
02:42:03 (4872): C:/Windows/system32/cmd.exe exited; CPU time 1087.906250
02:42:03 (4872): 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: 33490793 bytes.
Dumping objects ->
{3835618} normal block at 0x000001965A76CBA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835607} normal block at 0x000001965A76CF90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835596} normal block at 0x0000019658AF4D80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835585} normal block at 0x0000019658AF4760, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835574} normal block at 0x0000019658AF4D10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835543} normal block at 0x000001965A7B7BF0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835532} normal block at 0x000001965A7CF160, 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) : {3835529} normal block at 0x0000019658AEF180, 8 bytes long.
 Data: <  &#169;X&#150;   > 00 00 A9 58 96 01 00 00 
{3834721} normal block at 0x000001965A7CE920, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x0000019658AEEDC0, 8 bytes long.
 Data: < 3 Z&#150;   > 20 33 81 5A 96 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000019658AF0C00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000019658AE5FA0, 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 0x0000019658AF5BB0, 16 bytes long.
 Data: < h&#175;X&#150;           > 08 68 AF 58 96 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000019658AF5FC0, 16 bytes long.
 Data: <&#224;g&#175;X&#150;           > E0 67 AF 58 96 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000019658AEF8F0, 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 0x0000019658AF5B60, 16 bytes long.
 Data: <&#184;g&#175;X&#150;           > B8 67 AF 58 96 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000019658AF5D40, 16 bytes long.
 Data: < g&#175;X&#150;           > 90 67 AF 58 96 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000019658AF5890, 16 bytes long.
 Data: <hg&#175;X&#150;           > 68 67 AF 58 96 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000019658AF5B10, 16 bytes long.
 Data: <@g&#175;X&#150;           > 40 67 AF 58 96 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000019658AF48B0, 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 0x0000019658AF6330, 16 bytes long.
 Data: < &#181;&#173;X&#150;           > 88 B5 AD 58 96 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000019658AF0250, 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 0x0000019658AF56B0, 16 bytes long.
 Data: <`&#181;&#173;X&#150;           > 60 B5 AD 58 96 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000019658AF6290, 16 bytes long.
 Data: <8&#181;&#173;X&#150;           > 38 B5 AD 58 96 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019658AF61F0, 16 bytes long.
 Data: < &#181;&#173;X&#150;           > 10 B5 AD 58 96 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000019658AF5930, 16 bytes long.
 Data: <&#232;&#180;&#173;X&#150;           > E8 B4 AD 58 96 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019658AF5570, 16 bytes long.
 Data: <&#192;&#180;&#173;X&#150;           > C0 B4 AD 58 96 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000019658AF62E0, 16 bytes long.
 Data: < &#180;&#173;X&#150;           > 98 B4 AD 58 96 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019658AEF830, 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 0x0000019658AF59D0, 16 bytes long.
 Data: <p&#180;&#173;X&#150;           > 70 B4 AD 58 96 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000019658ADB470, 320 bytes long.
 Data: <&#208;Y&#175;X&#150;   0&#248;&#174;X&#150;   > D0 59 AF 58 96 01 00 00 30 F8 AE 58 96 01 00 00 
{277} normal block at 0x0000019658AF5AC0, 16 bytes long.
 Data: < g&#175;X&#150;           > 20 67 AF 58 96 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000019658AF5750, 16 bytes long.
 Data: <&#248;f&#175;X&#150;           > F8 66 AF 58 96 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000019658AF0010, 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 0x0000019658AF5F70, 16 bytes long.
 Data: <&#208;f&#175;X&#150;           > D0 66 AF 58 96 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000019658AF0730, 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 0x0000019658AF61A0, 16 bytes long.
 Data: < f&#175;X&#150;           > 18 66 AF 58 96 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000019658AF5F20, 16 bytes long.
 Data: <&#240;e&#175;X&#150;           > F0 65 AF 58 96 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019658AF5CF0, 16 bytes long.
 Data: <&#200;e&#175;X&#150;           > C8 65 AF 58 96 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000019658AF5ED0, 16 bytes long.
 Data: <&#160;e&#175;X&#150;           > A0 65 AF 58 96 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019658AF6380, 16 bytes long.
 Data: <xe&#175;X&#150;           > 78 65 AF 58 96 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000019658AF5E80, 16 bytes long.
 Data: <Pe&#175;X&#150;           > 50 65 AF 58 96 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000019658AF57A0, 16 bytes long.
 Data: < I&#175;X&#150;           > 20 49 AF 58 96 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000019658AF4920, 40 bytes long.
 Data: <&#160;W&#175;X&#150;   &#240;{{Z&#150;   > A0 57 AF 58 96 01 00 00 F0 7B 7B 5A 96 01 00 00 
{263} normal block at 0x0000019658AF5660, 16 bytes long.
 Data: <0e&#175;X&#150;           > 30 65 AF 58 96 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000019658AF5700, 16 bytes long.
 Data: < e&#175;X&#150;           > 08 65 AF 58 96 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000019658AEFD70, 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 0x0000019658AF6150, 16 bytes long.
 Data: <&#224;d&#175;X&#150;           > E0 64 AF 58 96 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000019658AF64E0, 992 bytes long.
 Data: <Pa&#175;X&#150;   p&#253;&#174;X&#150;   > 50 61 AF 58 96 01 00 00 70 FD AE 58 96 01 00 00 
{95} normal block at 0x0000019658AF0610, 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 0x0000019658AEEF50, 16 bytes long.
 Data: < &#239;&#173;X&#150;           > 20 EF AD 58 96 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000019658ADEF20, 40 bytes long.
 Data: <P&#239;&#174;X&#150;     &#175;X&#150;   > 50 EF AE 58 96 01 00 00 10 06 AF 58 96 01 00 00 
{72} normal block at 0x0000019658AEEC80, 16 bytes long.
 Data: < &#234;&#134;&#200;&#246;           > 80 EA 86 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000019658AEEE60, 16 bytes long.
 Data: <@&#233;&#134;&#200;&#246;           > 40 E9 86 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000019658AEEB40, 16 bytes long.
 Data: <&#248;W&#131;&#200;&#246;           > F8 57 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000019658AEF680, 16 bytes long.
 Data: <&#216;W&#131;&#200;&#246;           > D8 57 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000019658AEF220, 16 bytes long.
 Data: <P &#131;&#200;&#246;           > 50 04 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000019658AEE960, 16 bytes long.
 Data: <0 &#131;&#200;&#246;           > 30 04 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000019658AEECD0, 16 bytes long.
 Data: <&#224; &#131;&#200;&#246;           > E0 02 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000019658AEF5E0, 16 bytes long.
 Data: <  &#131;&#200;&#246;           > 10 04 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000019658AEF540, 16 bytes long.
 Data: <p &#131;&#200;&#246;           > 70 04 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000019658AEEC30, 16 bytes long.
 Data: < &#192; &#200;&#246;           > 18 C0 81 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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