Task 38681577

Name test_295-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND6850_0
Workunit 31623238
Created 27 Oct 2026, 4:31:06 UTC
Sent 27 Oct 2026, 4:31:08 UTC
Report deadline 1 Nov 2026, 4:31:08 UTC
Received 27 Oct 2026, 5:05:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630349
Run time 19 min 32 sec
CPU time 17 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 52,227.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 759.61 MB
Peak swap size 11.55 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:45:52 (49100): wrapper (7.9.26016): starting
21:45:52 (49100): 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
21:45:53 (49100): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:45:53 (49100): 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\4\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\4\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
22:04:36 (49100): C:/Windows/system32/cmd.exe exited; CPU time 1078.500000
22:04:36 (49100): 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: 27550941 bytes.
Dumping objects ->
{3835512} normal block at 0x000002B3404F4EB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835501} normal block at 0x000002B3404F4C80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835490} normal block at 0x000002B3404F4C10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835479} normal block at 0x000002B3404F50E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x000002B3404F4BA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835437} normal block at 0x000002B342294770, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835426} normal block at 0x000002B3422AE5B0, 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) : {3835423} normal block at 0x000002B3404EF3E0, 8 bytes long.
 Data: <  &#139;@&#179;   > 00 00 8B 40 B3 02 00 00 
{3834678} normal block at 0x000002B3422AE7C0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000002B3404EEE40, 8 bytes long.
 Data: < &#172;Q@&#179;   > 20 AC 51 40 B3 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002B3404ED560, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002B3404DEAB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000002B3404F57D0, 16 bytes long.
 Data: <&#216;hO@&#179;           > D8 68 4F 40 B3 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002B3404F6400, 16 bytes long.
 Data: <&#176;hO@&#179;           > B0 68 4F 40 B3 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002B3404F0560, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000002B3404F5B40, 16 bytes long.
 Data: < hO@&#179;           > 88 68 4F 40 B3 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002B3404F5AF0, 16 bytes long.
 Data: <`hO@&#179;           > 60 68 4F 40 B3 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002B3404F5D20, 16 bytes long.
 Data: <8hO@&#179;           > 38 68 4F 40 B3 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002B3404F6450, 16 bytes long.
 Data: < hO@&#179;           > 10 68 4F 40 B3 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002B3404F4CF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000002B3404F5780, 16 bytes long.
 Data: <&#216;&#233;N@&#179;           > D8 E9 4E 40 B3 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002B3404EFEA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000002B3404F56E0, 16 bytes long.
 Data: <&#176;&#233;N@&#179;           > B0 E9 4E 40 B3 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002B3404F5640, 16 bytes long.
 Data: < &#233;N@&#179;           > 88 E9 4E 40 B3 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002B3404F63B0, 16 bytes long.
 Data: <`&#233;N@&#179;           > 60 E9 4E 40 B3 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002B3404F5B90, 16 bytes long.
 Data: <8&#233;N@&#179;           > 38 E9 4E 40 B3 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002B3404F5A00, 16 bytes long.
 Data: < &#233;N@&#179;           > 10 E9 4E 40 B3 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002B3404F5D70, 16 bytes long.
 Data: <&#232;&#232;N@&#179;           > E8 E8 4E 40 B3 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002B3404EFCC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000002B3404F6310, 16 bytes long.
 Data: <&#192;&#232;N@&#179;           > C0 E8 4E 40 B3 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002B3404EE8C0, 320 bytes long.
 Data: < cO@&#179;   &#192;&#252;N@&#179;   > 10 63 4F 40 B3 02 00 00 C0 FC 4E 40 B3 02 00 00 
{275} normal block at 0x000002B3404F58C0, 16 bytes long.
 Data: <&#240;gO@&#179;           > F0 67 4F 40 B3 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002B3404F5E60, 16 bytes long.
 Data: <&#200;gO@&#179;           > C8 67 4F 40 B3 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002B3404F0860, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000002B3404F6540, 16 bytes long.
 Data: <&#160;gO@&#179;           > A0 67 4F 40 B3 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002B3404F0500, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000002B3404F62C0, 16 bytes long.
 Data: <&#232;fO@&#179;           > E8 66 4F 40 B3 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002B3404F6220, 16 bytes long.
 Data: <&#192;fO@&#179;           > C0 66 4F 40 B3 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002B3404F61D0, 16 bytes long.
 Data: < fO@&#179;           > 98 66 4F 40 B3 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002B3404F59B0, 16 bytes long.
 Data: <pfO@&#179;           > 70 66 4F 40 B3 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002B3404F5690, 16 bytes long.
 Data: <HfO@&#179;           > 48 66 4F 40 B3 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002B3404F64F0, 16 bytes long.
 Data: < fO@&#179;           > 20 66 4F 40 B3 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002B3404F5730, 16 bytes long.
 Data: <&#224;IO@&#179;           > E0 49 4F 40 B3 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002B3404F49E0, 40 bytes long.
 Data: <0WO@&#179;   pG)B&#179;   > 30 57 4F 40 B3 02 00 00 70 47 29 42 B3 02 00 00 
{261} normal block at 0x000002B3404F5AA0, 16 bytes long.
 Data: < fO@&#179;           > 00 66 4F 40 B3 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002B3404F55F0, 16 bytes long.
 Data: <&#216;eO@&#179;           > D8 65 4F 40 B3 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002B3404F0080, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000002B3404F5F00, 16 bytes long.
 Data: <&#176;eO@&#179;           > B0 65 4F 40 B3 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002B3404F65B0, 992 bytes long.
 Data: < _O@&#179;     O@&#179;   > 00 5F 4F 40 B3 02 00 00 80 00 4F 40 B3 02 00 00 
{93} normal block at 0x000002B3404EFBA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000002B3404EF660, 16 bytes long.
 Data: < &#248;M@&#179;           > 10 F8 4D 40 B3 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002B3404DF810, 40 bytes long.
 Data: <`&#246;N@&#179;   &#160;&#251;N@&#179;   > 60 F6 4E 40 B3 02 00 00 A0 FB 4E 40 B3 02 00 00 
{70} normal block at 0x000002B3404EEE90, 16 bytes long.
 Data: < &#234;&#193;d&#246;           > 80 EA C1 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002B3404EF200, 16 bytes long.
 Data: <@&#233;&#193;d&#246;           > 40 E9 C1 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002B3404EF110, 16 bytes long.
 Data: <&#248;W&#190;d&#246;           > F8 57 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002B3404EEDF0, 16 bytes long.
 Data: <&#216;W&#190;d&#246;           > D8 57 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002B3404EEDA0, 16 bytes long.
 Data: <P &#190;d&#246;           > 50 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002B3404EEEE0, 16 bytes long.
 Data: <0 &#190;d&#246;           > 30 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002B3404EEC60, 16 bytes long.
 Data: <&#224; &#190;d&#246;           > E0 02 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002B3404EED00, 16 bytes long.
 Data: <  &#190;d&#246;           > 10 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002B3404EEB20, 16 bytes long.
 Data: <p &#190;d&#246;           > 70 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002B3404EF070, 16 bytes long.
 Data: < &#192;&#188;d&#246;           > 18 C0 BC 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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