Task 38673735

Name test_422-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND5701_0
Workunit 31615799
Created 26 Oct 2026, 3:16:10 UTC
Sent 26 Oct 2026, 3:16:15 UTC
Report deadline 31 Oct 2026, 3:16:15 UTC
Received 26 Oct 2026, 3:41:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654663
Run time 25 min 6 sec
CPU time 20 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.76 MB
Peak swap size 8.62 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:17:56 (40808): wrapper (7.9.26016): starting
04:17:56 (40808): 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
04:17:57 (40808): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:17:57 (40808): 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
04:41:29 (40808): C:/Windows/system32/cmd.exe exited; CPU time 1244.359375
04:41:29 (40808): 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: 32535451 bytes.
Dumping objects ->
{3835219} normal block at 0x0000029D6E0DFDD0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x0000029D6E0DFEB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x0000029D6E0DF7B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x0000029D6E0DF2E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x0000029D6C2A53E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x0000029D6E12D050, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x0000029D6E1411C0, 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) : {3835130} normal block at 0x0000029D6C29D300, 8 bytes long.
 Data: <  &#149;l    > 00 00 95 6C 9D 02 00 00 
{3834536} normal block at 0x0000029D6E1415E0, 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 0x0000029D6C29DB70, 8 bytes long.
 Data: < &#216;7l    > 00 D8 37 6C 9D 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000029D6C2A1A60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000029D6C295F40, 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 0x0000029D6C2A6740, 16 bytes long.
 Data: <&#200;k*l            > C8 6B 2A 6C 9D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000029D6C2A5E80, 16 bytes long.
 Data: <&#160;k*l            > A0 6B 2A 6C 9D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000029D6C29FD60, 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 0x0000029D6C2A61A0, 16 bytes long.
 Data: <xk*l            > 78 6B 2A 6C 9D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000029D6C2A5A20, 16 bytes long.
 Data: <Pk*l            > 50 6B 2A 6C 9D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000029D6C2A6510, 16 bytes long.
 Data: <(k*l            > 28 6B 2A 6C 9D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000029D6C2A5B10, 16 bytes long.
 Data: < k*l            > 00 6B 2A 6C 9D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000029D6C2A5300, 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 0x0000029D6C2A6150, 16 bytes long.
 Data: <H&#137;)l            > 48 89 29 6C 9D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000029D6C29F6A0, 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 0x0000029D6C2A6830, 16 bytes long.
 Data: < &#137;)l            > 20 89 29 6C 9D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000029D6C2A6790, 16 bytes long.
 Data: <&#248; )l            > F8 88 29 6C 9D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000029D6C2A6330, 16 bytes long.
 Data: <&#208; )l            > D0 88 29 6C 9D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000029D6C2A66F0, 16 bytes long.
 Data: <&#168; )l            > A8 88 29 6C 9D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000029D6C2A5CA0, 16 bytes long.
 Data: <  )l            > 80 88 29 6C 9D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000029D6C2A6470, 16 bytes long.
 Data: <X )l            > 58 88 29 6C 9D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000029D6C29FD00, 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 0x0000029D6C2A6420, 16 bytes long.
 Data: <0 )l            > 30 88 29 6C 9D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000029D6C298830, 320 bytes long.
 Data: < d*l     &#253;)l    > 20 64 2A 6C 9D 02 00 00 00 FD 29 6C 9D 02 00 00 
{276} normal block at 0x0000029D6C2A5FC0, 16 bytes long.
 Data: <&#224;j*l            > E0 6A 2A 6C 9D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000029D6C2A5E30, 16 bytes long.
 Data: <&#184;j*l            > B8 6A 2A 6C 9D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000029D6C29F160, 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 0x0000029D6C2A6100, 16 bytes long.
 Data: < j*l            > 90 6A 2A 6C 9D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000029D6C29FC40, 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 0x0000029D6C2A59D0, 16 bytes long.
 Data: <&#216;i*l            > D8 69 2A 6C 9D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000029D6C2A6290, 16 bytes long.
 Data: <&#176;i*l            > B0 69 2A 6C 9D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000029D6C2A5F70, 16 bytes long.
 Data: < i*l            > 88 69 2A 6C 9D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000029D6C2A66A0, 16 bytes long.
 Data: <`i*l            > 60 69 2A 6C 9D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000029D6C2A6650, 16 bytes long.
 Data: <8i*l            > 38 69 2A 6C 9D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000029D6C2A65B0, 16 bytes long.
 Data: < i*l            > 10 69 2A 6C 9D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000029D6C2A5A70, 16 bytes long.
 Data: < V*l            > 80 56 2A 6C 9D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000029D6C2A5680, 40 bytes long.
 Data: <pZ*l    P&#208; n    > 70 5A 2A 6C 9D 02 00 00 50 D0 12 6E 9D 02 00 00 
{262} normal block at 0x0000029D6C2A5AC0, 16 bytes long.
 Data: <&#240;h*l            > F0 68 2A 6C 9D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000029D6C2A5DE0, 16 bytes long.
 Data: <&#200;h*l            > C8 68 2A 6C 9D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000029D6C29F280, 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 0x0000029D6C2A62E0, 16 bytes long.
 Data: <&#160;h*l            > A0 68 2A 6C 9D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000029D6C2A68A0, 992 bytes long.
 Data: <&#224;b*l     &#242;)l    > E0 62 2A 6C 9D 02 00 00 80 F2 29 6C 9D 02 00 00 
{94} normal block at 0x0000029D6C29F8E0, 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 0x0000029D6C29D580, 16 bytes long.
 Data: <0U*l            > 30 55 2A 6C 9D 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000029D6C2A5530, 40 bytes long.
 Data: < &#213;)l    &#224;&#248;)l    > 80 D5 29 6C 9D 02 00 00 E0 F8 29 6C 9D 02 00 00 
{71} normal block at 0x0000029D6C29DD00, 16 bytes long.
 Data: < &#234;&#232;&#246;&#247;           > 80 EA E8 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000029D6C29D2B0, 16 bytes long.
 Data: <@&#233;&#232;&#246;&#247;           > 40 E9 E8 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000029D6C29DE40, 16 bytes long.
 Data: <&#248;W&#229;&#246;&#247;           > F8 57 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000029D6C29DAD0, 16 bytes long.
 Data: <&#216;W&#229;&#246;&#247;           > D8 57 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000029D6C29D670, 16 bytes long.
 Data: <P &#229;&#246;&#247;           > 50 04 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000029D6C29E1B0, 16 bytes long.
 Data: <0 &#229;&#246;&#247;           > 30 04 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000029D6C29E070, 16 bytes long.
 Data: <&#224; &#229;&#246;&#247;           > E0 02 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000029D6C29D800, 16 bytes long.
 Data: <  &#229;&#246;&#247;           > 10 04 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000029D6C29D620, 16 bytes long.
 Data: <p &#229;&#246;&#247;           > 70 04 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000029D6C29DFD0, 16 bytes long.
 Data: < &#192;&#227;&#246;&#247;           > 18 C0 E3 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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