Task 38673061

Name test_808-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND4946_0
Workunit 31615167
Created 26 Oct 2026, 1:19:56 UTC
Sent 26 Oct 2026, 1:19:59 UTC
Report deadline 31 Oct 2026, 1:19:59 UTC
Received 26 Oct 2026, 2:08:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 617738
Run time 33 min 40 sec
CPU time 32 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,210.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 5.06 GB
Peak swap size 6.87 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
20:34:58 (20076): wrapper (7.9.26016): starting
20:34:58 (20076): 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
20:34:59 (20076): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:34:59 (20076): 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
21:07:38 (20076): C:/Windows/system32/cmd.exe exited; CPU time 1965.687500
21:07:38 (20076): 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: 26007835 bytes.
Dumping objects ->
{3835250} normal block at 0x000001E6C6BEDF50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835239} normal block at 0x000001E6C6BED690, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x000001E6C6BED770, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835217} normal block at 0x000001E6C4FF4DC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x000001E6C4FF51B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835175} normal block at 0x000001E6C6C384B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835164} normal block at 0x000001E6C6C4F870, 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) : {3835161} normal block at 0x000001E6C4FED5A0, 8 bytes long.
 Data: <  =&#197;&#230;   > 00 00 3D C5 E6 01 00 00 
{3834554} normal block at 0x000001E6C6C4ECC0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001E6C4FEE450, 8 bytes long.
 Data: <&#240;T&#201;&#198;&#230;   > F0 54 C9 C6 E6 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001E6C4FF14C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001E6C4FE6260, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001E6C4FF6380, 16 bytes long.
 Data: <&#184;l&#255;&#196;&#230;           > B8 6C FF C4 E6 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E6C4FF5E30, 16 bytes long.
 Data: < l&#255;&#196;&#230;           > 90 6C FF C4 E6 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E6C4FF0110, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001E6C4FF6330, 16 bytes long.
 Data: <hl&#255;&#196;&#230;           > 68 6C FF C4 E6 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E6C4FF6470, 16 bytes long.
 Data: <@l&#255;&#196;&#230;           > 40 6C FF C4 E6 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E6C4FF6920, 16 bytes long.
 Data: < l&#255;&#196;&#230;           > 18 6C FF C4 E6 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E6C4FF5D90, 16 bytes long.
 Data: <&#240;k&#255;&#196;&#230;           > F0 6B FF C4 E6 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E6C4FF5140, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001E6C4FF62E0, 16 bytes long.
 Data: <&#200;&#246;&#253;&#196;&#230;           > C8 F6 FD C4 E6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E6C4FEFED0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001E6C4FF6560, 16 bytes long.
 Data: <&#160;&#246;&#253;&#196;&#230;           > A0 F6 FD C4 E6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E6C4FF68D0, 16 bytes long.
 Data: <x&#246;&#253;&#196;&#230;           > 78 F6 FD C4 E6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E6C4FF5D40, 16 bytes long.
 Data: <P&#246;&#253;&#196;&#230;           > 50 F6 FD C4 E6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E6C4FF5A20, 16 bytes long.
 Data: <(&#246;&#253;&#196;&#230;           > 28 F6 FD C4 E6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E6C4FF6420, 16 bytes long.
 Data: < &#246;&#253;&#196;&#230;           > 00 F6 FD C4 E6 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E6C4FF66F0, 16 bytes long.
 Data: <&#216;&#245;&#253;&#196;&#230;           > D8 F5 FD C4 E6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E6C4FEFAB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001E6C4FF5ED0, 16 bytes long.
 Data: <&#176;&#245;&#253;&#196;&#230;           > B0 F5 FD C4 E6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E6C4FDF5B0, 320 bytes long.
 Data: <&#208;^&#255;&#196;&#230;   &#176;&#250;&#254;&#196;&#230;   > D0 5E FF C4 E6 01 00 00 B0 FA FE C4 E6 01 00 00 
{276} normal block at 0x000001E6C4FF6650, 16 bytes long.
 Data: <&#208;k&#255;&#196;&#230;           > D0 6B FF C4 E6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E6C4FF5DE0, 16 bytes long.
 Data: <&#168;k&#255;&#196;&#230;           > A8 6B FF C4 E6 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E6C4FEF930, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001E6C4FF5CF0, 16 bytes long.
 Data: < k&#255;&#196;&#230;           > 80 6B FF C4 E6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E6C4FEFE70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001E6C4FF5C50, 16 bytes long.
 Data: <&#200;j&#255;&#196;&#230;           > C8 6A FF C4 E6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E6C4FF64C0, 16 bytes long.
 Data: <&#160;j&#255;&#196;&#230;           > A0 6A FF C4 E6 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E6C4FF5CA0, 16 bytes long.
 Data: <xj&#255;&#196;&#230;           > 78 6A FF C4 E6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E6C4FF5BB0, 16 bytes long.
 Data: <Pj&#255;&#196;&#230;           > 50 6A FF C4 E6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E6C4FF66A0, 16 bytes long.
 Data: <(j&#255;&#196;&#230;           > 28 6A FF C4 E6 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E6C4FF5C00, 16 bytes long.
 Data: < j&#255;&#196;&#230;           > 00 6A FF C4 E6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E6C4FF5B60, 16 bytes long.
 Data: <&#224;S&#255;&#196;&#230;           > E0 53 FF C4 E6 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E6C4FF53E0, 40 bytes long.
 Data: <`[&#255;&#196;&#230;   &#176;&#132;&#195;&#198;&#230;   > 60 5B FF C4 E6 01 00 00 B0 84 C3 C6 E6 01 00 00 
{262} normal block at 0x000001E6C4FF61F0, 16 bytes long.
 Data: <&#224;i&#255;&#196;&#230;           > E0 69 FF C4 E6 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E6C4FF63D0, 16 bytes long.
 Data: <&#184;i&#255;&#196;&#230;           > B8 69 FF C4 E6 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E6C4FEF870, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001E6C4FF5B10, 16 bytes long.
 Data: < i&#255;&#196;&#230;           > 90 69 FF C4 E6 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E6C4FF6990, 992 bytes long.
 Data: < [&#255;&#196;&#230;   p&#248;&#254;&#196;&#230;   > 10 5B FF C4 E6 01 00 00 70 F8 FE C4 E6 01 00 00 
{94} normal block at 0x000001E6C4FEF6F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001E6C4FED7D0, 16 bytes long.
 Data: <&#208;P&#255;&#196;&#230;           > D0 50 FF C4 E6 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001E6C4FF50D0, 40 bytes long.
 Data: <&#208;&#215;&#254;&#196;&#230;   &#240;&#246;&#254;&#196;&#230;   > D0 D7 FE C4 E6 01 00 00 F0 F6 FE C4 E6 01 00 00 
{71} normal block at 0x000001E6C4FEE270, 16 bytes long.
 Data: < &#234;&#162;&#187;&#247;           > 80 EA A2 BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E6C4FEDDC0, 16 bytes long.
 Data: <@&#233;&#162;&#187;&#247;           > 40 E9 A2 BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E6C4FEDC80, 16 bytes long.
 Data: <&#248;W&#159;&#187;&#247;           > F8 57 9F BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E6C4FEE090, 16 bytes long.
 Data: <&#216;W&#159;&#187;&#247;           > D8 57 9F BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E6C4FEDF00, 16 bytes long.
 Data: <P &#159;&#187;&#247;           > 50 04 9F BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E6C4FEDAF0, 16 bytes long.
 Data: <0 &#159;&#187;&#247;           > 30 04 9F BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E6C4FEDF50, 16 bytes long.
 Data: <&#224; &#159;&#187;&#247;           > E0 02 9F BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E6C4FEE4F0, 16 bytes long.
 Data: <  &#159;&#187;&#247;           > 10 04 9F BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E6C4FEDEB0, 16 bytes long.
 Data: <p &#159;&#187;&#247;           > 70 04 9F BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E6C4FEE040, 16 bytes long.
 Data: < &#192; &#187;&#247;           > 18 C0 9D BB F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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