Task 38677952

Name test_245-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND6089_0
Workunit 31619801
Created 26 Oct 2026, 15:56:27 UTC
Sent 26 Oct 2026, 15:56:31 UTC
Report deadline 31 Oct 2026, 15:56:31 UTC
Received 26 Oct 2026, 16:32:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654879
Run time 17 min 25 sec
CPU time 16 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 84,053.55 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 746.19 MB
Peak swap size 13.16 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:15:16 (30420): wrapper (7.9.26016): starting
17:15:16 (30420): 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
17:15:17 (30420): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:15:17 (30420): 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\3\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\3\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
17:32:00 (30420): C:/Windows/system32/cmd.exe exited; CPU time 997.906250
17:32:00 (30420): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 16598213 bytes.
Dumping objects ->
{3835018} normal block at 0x0000022E821FD930, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835007} normal block at 0x0000022E821FDCB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3834996} normal block at 0x0000022E821FD8C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3834985} normal block at 0x0000022E821FDE00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3834974} normal block at 0x0000022E804760A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3834943} normal block at 0x0000022E82249900, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3834930} normal block at 0x0000022E8046E1A0, 8 bytes long.
 Data: <   &#130;.   > 00 00 02 82 2E 02 00 00 
{3833961} normal block at 0x0000022E8046E0B0, 8 bytes long.
 Data: < Y-&#130;.   > 90 59 2D 82 2E 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000022E80471830, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022E804668A0, 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 0x0000022E80476BE0, 16 bytes long.
 Data: <&#200;yG .           > C8 79 47 80 2E 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022E80476A00, 16 bytes long.
 Data: <&#160;yG .           > A0 79 47 80 2E 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022E8046EC20, 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 0x0000022E80476F50, 16 bytes long.
 Data: <xyG .           > 78 79 47 80 2E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022E804773B0, 16 bytes long.
 Data: <PyG .           > 50 79 47 80 2E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022E804769B0, 16 bytes long.
 Data: <(yG .           > 28 79 47 80 2E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022E804771D0, 16 bytes long.
 Data: < yG .           > 00 79 47 80 2E 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022E80475C40, 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 0x0000022E804768C0, 16 bytes long.
 Data: <&#248; F .           > F8 90 46 80 2E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022E8046EBC0, 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 0x0000022E804772C0, 16 bytes long.
 Data: <&#208; F .           > D0 90 46 80 2E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022E80476B90, 16 bytes long.
 Data: <&#168; F .           > A8 90 46 80 2E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022E80477270, 16 bytes long.
 Data: <  F .           > 80 90 46 80 2E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022E80477360, 16 bytes long.
 Data: <X F .           > 58 90 46 80 2E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022E80477590, 16 bytes long.
 Data: <0 F .           > 30 90 46 80 2E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022E80476820, 16 bytes long.
 Data: <  F .           > 08 90 46 80 2E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022E8046F100, 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 0x0000022E80476B40, 16 bytes long.
 Data: <&#224;&#143;F .           > E0 8F 46 80 2E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022E80468FE0, 320 bytes long.
 Data: <@kG .    &#241;F .   > 40 6B 47 80 2E 02 00 00 00 F1 46 80 2E 02 00 00 
{276} normal block at 0x0000022E80476C80, 16 bytes long.
 Data: <&#224;xG .           > E0 78 47 80 2E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022E80476960, 16 bytes long.
 Data: <&#184;xG .           > B8 78 47 80 2E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022E8046ECE0, 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 0x0000022E80476AF0, 16 bytes long.
 Data: < xG .           > 90 78 47 80 2E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022E8046EB60, 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 0x0000022E80477630, 16 bytes long.
 Data: <&#216;wG .           > D8 77 47 80 2E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022E80476780, 16 bytes long.
 Data: <&#176;wG .           > B0 77 47 80 2E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022E804774F0, 16 bytes long.
 Data: < wG .           > 88 77 47 80 2E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022E80477090, 16 bytes long.
 Data: <`wG .           > 60 77 47 80 2E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022E80476730, 16 bytes long.
 Data: <8wG .           > 38 77 47 80 2E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022E80477310, 16 bytes long.
 Data: < wG .           > 10 77 47 80 2E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022E80477130, 16 bytes long.
 Data: <&#176;\G .           > B0 5C 47 80 2E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022E80475CB0, 40 bytes long.
 Data: <0qG .     $&#130;.   > 30 71 47 80 2E 02 00 00 00 99 24 82 2E 02 00 00 
{262} normal block at 0x0000022E80476CD0, 16 bytes long.
 Data: <&#240;vG .           > F0 76 47 80 2E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022E80476FA0, 16 bytes long.
 Data: <&#200;vG .           > C8 76 47 80 2E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022E8046F400, 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 0x0000022E80476870, 16 bytes long.
 Data: <&#160;vG .           > A0 76 47 80 2E 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022E804776A0, 992 bytes long.
 Data: <phG .    &#244;F .   > 70 68 47 80 2E 02 00 00 00 F4 46 80 2E 02 00 00 
{94} normal block at 0x0000022E8046F3A0, 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 0x0000022E8046DF70, 16 bytes long.
 Data: < aG .           > 10 61 47 80 2E 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000022E80476110, 40 bytes long.
 Data: <p&#223;F .   &#160;&#243;F .   > 70 DF 46 80 2E 02 00 00 A0 F3 46 80 2E 02 00 00 
{71} normal block at 0x0000022E8046E150, 16 bytes long.
 Data: < &#234;&#159;7&#247;           > 80 EA 9F 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022E8046D480, 16 bytes long.
 Data: <@&#233;&#159;7&#247;           > 40 E9 9F 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022E8046D750, 16 bytes long.
 Data: <&#248;W&#156;7&#247;           > F8 57 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022E8046D2F0, 16 bytes long.
 Data: <&#216;W&#156;7&#247;           > D8 57 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022E8046DED0, 16 bytes long.
 Data: <P &#156;7&#247;           > 50 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022E8046DFC0, 16 bytes long.
 Data: <0 &#156;7&#247;           > 30 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022E8046DE80, 16 bytes long.
 Data: <&#224; &#156;7&#247;           > E0 02 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022E8046D700, 16 bytes long.
 Data: <  &#156;7&#247;           > 10 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022E8046DB10, 16 bytes long.
 Data: <p &#156;7&#247;           > 70 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022E8046D570, 16 bytes long.
 Data: < &#192;&#154;7&#247;           > 18 C0 9A 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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