Task 38680783

Name test_182-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND6584_0
Workunit 31622483
Created 27 Oct 2026, 1:28:52 UTC
Sent 27 Oct 2026, 1:29:01 UTC
Report deadline 1 Nov 2026, 1:29:01 UTC
Received 27 Oct 2026, 4:38:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630191
Run time 36 min 11 sec
CPU time 33 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 762.54 MB
Peak swap size 12.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:03:02 (30328): wrapper (7.9.26016): starting
00:03:02 (30328): 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
00:03:04 (30328): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:03:04 (30328): 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\11\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\11\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
00:37:52 (30328): C:/Windows/system32/cmd.exe exited; CPU time 2016.890625
00:37:52 (30328): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 41540261 bytes.
Dumping objects ->
{3835559} normal block at 0x000001CEF4854950, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835548} normal block at 0x000001CEF2A35710, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835537} normal block at 0x000001CEF2A356A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835526} normal block at 0x000001CEF2A35630, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835515} normal block at 0x000001CEF2A355C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835484} normal block at 0x000001CEF47FBDD0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835473} normal block at 0x000001CEF2A8DCE0, 140 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) : {3835470} normal block at 0x000001CEF2A2E090, 8 bytes long.
 Data: <  &#158;&#242;&#206;   > 00 00 9E F2 CE 01 00 00 
{3834709} normal block at 0x000001CEF2A8E500, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000001CEF2A2E270, 8 bytes long.
 Data: <&#176;X &#244;&#206;   > B0 58 88 F4 CE 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001CEF2A31AC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001CEF2A272E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001CEF2A36380, 16 bytes long.
 Data: < r&#163;&#242;&#206;           > 08 72 A3 F2 CE 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001CEF2A35FC0, 16 bytes long.
 Data: <&#224;q&#163;&#242;&#206;           > E0 71 A3 F2 CE 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001CEF2A30130, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001CEF2A36470, 16 bytes long.
 Data: <&#184;q&#163;&#242;&#206;           > B8 71 A3 F2 CE 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001CEF2A36330, 16 bytes long.
 Data: < q&#163;&#242;&#206;           > 90 71 A3 F2 CE 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001CEF2A36C90, 16 bytes long.
 Data: <hq&#163;&#242;&#206;           > 68 71 A3 F2 CE 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001CEF2A36100, 16 bytes long.
 Data: <@q&#163;&#242;&#206;           > 40 71 A3 F2 CE 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001CEF2A35320, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001CEF2A36E70, 16 bytes long.
 Data: <&#184;&#234;&#161;&#242;&#206;           > B8 EA A1 F2 CE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001CEF2A302B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001CEF2A36C40, 16 bytes long.
 Data: < &#234;&#161;&#242;&#206;           > 90 EA A1 F2 CE 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001CEF2A362E0, 16 bytes long.
 Data: <h&#234;&#161;&#242;&#206;           > 68 EA A1 F2 CE 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001CEF2A36BA0, 16 bytes long.
 Data: <@&#234;&#161;&#242;&#206;           > 40 EA A1 F2 CE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001CEF2A36510, 16 bytes long.
 Data: < &#234;&#161;&#242;&#206;           > 18 EA A1 F2 CE 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001CEF2A360B0, 16 bytes long.
 Data: <&#240;&#233;&#161;&#242;&#206;           > F0 E9 A1 F2 CE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001CEF2A36A10, 16 bytes long.
 Data: <&#200;&#233;&#161;&#242;&#206;           > C8 E9 A1 F2 CE 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001CEF2A307F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001CEF2A36920, 16 bytes long.
 Data: <&#160;&#233;&#161;&#242;&#206;           > A0 E9 A1 F2 CE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CEF2A1E9A0, 320 bytes long.
 Data: < i&#163;&#242;&#206;   &#240; &#163;&#242;&#206;   > 20 69 A3 F2 CE 01 00 00 F0 07 A3 F2 CE 01 00 00 
{278} normal block at 0x000001CEF2A36240, 16 bytes long.
 Data: < q&#163;&#242;&#206;           > 20 71 A3 F2 CE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001CEF2A36830, 16 bytes long.
 Data: <&#248;p&#163;&#242;&#206;           > F8 70 A3 F2 CE 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001CEF2A2FA70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001CEF2A361F0, 16 bytes long.
 Data: <&#208;p&#163;&#242;&#206;           > D0 70 A3 F2 CE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001CEF2A2FB90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001CEF2A36E20, 16 bytes long.
 Data: < p&#163;&#242;&#206;           > 18 70 A3 F2 CE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001CEF2A36BF0, 16 bytes long.
 Data: <&#240;o&#163;&#242;&#206;           > F0 6F A3 F2 CE 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001CEF2A36DD0, 16 bytes long.
 Data: <&#200;o&#163;&#242;&#206;           > C8 6F A3 F2 CE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001CEF2A36D30, 16 bytes long.
 Data: <&#160;o&#163;&#242;&#206;           > A0 6F A3 F2 CE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001CEF2A36CE0, 16 bytes long.
 Data: <xo&#163;&#242;&#206;           > 78 6F A3 F2 CE 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001CEF2A361A0, 16 bytes long.
 Data: <Po&#163;&#242;&#206;           > 50 6F A3 F2 CE 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001CEF2A36290, 16 bytes long.
 Data: <&#240;W&#163;&#242;&#206;           > F0 57 A3 F2 CE 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001CEF2A357F0, 40 bytes long.
 Data: < b&#163;&#242;&#206;   &#208;&#189; &#244;&#206;   > 90 62 A3 F2 CE 01 00 00 D0 BD 7F F4 CE 01 00 00 
{264} normal block at 0x000001CEF2A36560, 16 bytes long.
 Data: <0o&#163;&#242;&#206;           > 30 6F A3 F2 CE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001CEF2A36060, 16 bytes long.
 Data: < o&#163;&#242;&#206;           > 08 6F A3 F2 CE 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001CEF2A30190, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001CEF2A36790, 16 bytes long.
 Data: <&#224;n&#163;&#242;&#206;           > E0 6E A3 F2 CE 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001CEF2A36EE0, 992 bytes long.
 Data: < g&#163;&#242;&#206;     &#163;&#242;&#206;   > 90 67 A3 F2 CE 01 00 00 90 01 A3 F2 CE 01 00 00 
{96} normal block at 0x000001CEF2A2FC50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001CEF2A2DEB0, 16 bytes long.
 Data: < &#249;&#162;&#242;&#206;           > 90 F9 A2 F2 CE 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001CEF2A2F990, 40 bytes long.
 Data: <&#176;&#222;&#162;&#242;&#206;   P&#252;&#162;&#242;&#206;   > B0 DE A2 F2 CE 01 00 00 50 FC A2 F2 CE 01 00 00 
{73} normal block at 0x000001CEF2A2E450, 16 bytes long.
 Data: < &#234;1P&#247;           > 80 EA 31 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001CEF2A2DC80, 16 bytes long.
 Data: <@&#233;1P&#247;           > 40 E9 31 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001CEF2A2DD70, 16 bytes long.
 Data: <&#248;W.P&#247;           > F8 57 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001CEF2A2E220, 16 bytes long.
 Data: <&#216;W.P&#247;           > D8 57 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001CEF2A2E720, 16 bytes long.
 Data: <P .P&#247;           > 50 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001CEF2A2DC30, 16 bytes long.
 Data: <0 .P&#247;           > 30 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001CEF2A2DA50, 16 bytes long.
 Data: <&#224; .P&#247;           > E0 02 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001CEF2A2DFF0, 16 bytes long.
 Data: <  .P&#247;           > 10 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001CEF2A2DF00, 16 bytes long.
 Data: <p .P&#247;           > 70 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001CEF2A2DD20, 16 bytes long.
 Data: < &#192;,P&#247;           > 18 C0 2C 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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