Task 38699891

Name test_614-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND2282_0
Workunit 31640247
Created 5 Nov 2026, 23:07:43 UTC
Sent 5 Nov 2026, 23:07:45 UTC
Report deadline 10 Nov 2026, 23:07:45 UTC
Received 6 Nov 2026, 0:38:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652185
Run time 1 hours 26 min 48 sec
CPU time 1 hours 24 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,749.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 726.50 MB
Peak swap size 6.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:12:11 (19156): wrapper (7.9.26016): starting
00:12:11 (19156): 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
00:12:12 (19156): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:12:12 (19156): 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\1\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\1\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
01:38:26 (19156): C:/Windows/system32/cmd.exe exited; CPU time 5072.312500
01:38:26 (19156): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 81053317 bytes.
Dumping objects ->
{3835231} normal block at 0x0000020542FE8D10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x0000020542FE9100, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x0000020542FE9950, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835198} normal block at 0x0000020542FE8AE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835187} normal block at 0x0000020542FE99C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835156} normal block at 0x0000020544DB9E40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835145} normal block at 0x000002054301D800, 141 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) : {3835142} normal block at 0x0000020542FBD3B0, 8 bytes long.
 Data: <  MC    > 00 00 4D 43 05 02 00 00 
{3834545} normal block at 0x000002054301DB40, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x0000020542FBD6D0, 8 bytes long.
 Data: <&#208;M&#225;D    > D0 4D E1 44 05 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000020542FC1670, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020542FB63E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000020542FC5FA0, 16 bytes long.
 Data: < Y&#252;B            > 08 59 FC 42 05 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020542FC5A50, 16 bytes long.
 Data: <&#224;X&#252;B            > E0 58 FC 42 05 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020542FBF7C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000020542FC5F00, 16 bytes long.
 Data: <&#184;X&#252;B            > B8 58 FC 42 05 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020542FC5CD0, 16 bytes long.
 Data: < X&#252;B            > 90 58 FC 42 05 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020542FC63B0, 16 bytes long.
 Data: <hX&#252;B            > 68 58 FC 42 05 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020542FC5FF0, 16 bytes long.
 Data: <@X&#252;B            > 40 58 FC 42 05 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020542FC3C10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000020542FC5E60, 16 bytes long.
 Data: <&#200;T&#252;B            > C8 54 FC 42 05 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020542FBF460, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000020542FC5DC0, 16 bytes long.
 Data: <&#160;T&#252;B            > A0 54 FC 42 05 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020542FC6590, 16 bytes long.
 Data: <xT&#252;B            > 78 54 FC 42 05 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020542FC5BE0, 16 bytes long.
 Data: <PT&#252;B            > 50 54 FC 42 05 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020542FC6090, 16 bytes long.
 Data: <(T&#252;B            > 28 54 FC 42 05 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020542FC5F50, 16 bytes long.
 Data: < T&#252;B            > 00 54 FC 42 05 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020542FC6540, 16 bytes long.
 Data: <&#216;S&#252;B            > D8 53 FC 42 05 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020542FBF160, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000020542FC5AA0, 16 bytes long.
 Data: <&#176;S&#252;B            > B0 53 FC 42 05 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020542FC53B0, 320 bytes long.
 Data: <&#160;Z&#252;B    `&#241;&#251;B    > A0 5A FC 42 05 02 00 00 60 F1 FB 42 05 02 00 00 
{277} normal block at 0x0000020542FC5B40, 16 bytes long.
 Data: < X&#252;B            > 20 58 FC 42 05 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020542FC6360, 16 bytes long.
 Data: <&#248;W&#252;B            > F8 57 FC 42 05 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020542FBF5E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000020542FC5AF0, 16 bytes long.
 Data: <&#208;W&#252;B            > D0 57 FC 42 05 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020542FBFA60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000020542FC67C0, 16 bytes long.
 Data: < W&#252;B            > 18 57 FC 42 05 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020542FC6040, 16 bytes long.
 Data: <&#240;V&#252;B            > F0 56 FC 42 05 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020542FC6400, 16 bytes long.
 Data: <&#200;V&#252;B            > C8 56 FC 42 05 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020542FC65E0, 16 bytes long.
 Data: <&#160;V&#252;B            > A0 56 FC 42 05 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020542FC6770, 16 bytes long.
 Data: <xV&#252;B            > 78 56 FC 42 05 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020542FBD720, 16 bytes long.
 Data: <PV&#252;B            > 50 56 FC 42 05 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020542FBD4A0, 16 bytes long.
 Data: <&#176;7&#252;B            > B0 37 FC 42 05 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020542FC37B0, 40 bytes long.
 Data: <&#160;&#212;&#251;B    @&#158;&#219;D    > A0 D4 FB 42 05 02 00 00 40 9E DB 44 05 02 00 00 
{263} normal block at 0x0000020542FBE170, 16 bytes long.
 Data: <0V&#252;B            > 30 56 FC 42 05 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020542FBDEA0, 16 bytes long.
 Data: < V&#252;B            > 08 56 FC 42 05 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020542FBF340, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000020542FBD540, 16 bytes long.
 Data: <&#224;U&#252;B            > E0 55 FC 42 05 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020542FC55E0, 992 bytes long.
 Data: <@&#213;&#251;B    @&#243;&#251;B    > 40 D5 FB 42 05 02 00 00 40 F3 FB 42 05 02 00 00 
{95} normal block at 0x0000020542FBFA00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000020542FBDE00, 16 bytes long.
 Data: <&#192;:&#252;B            > C0 3A FC 42 05 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000020542FC3AC0, 40 bytes long.
 Data: < &#222;&#251;B     &#250;&#251;B    > 00 DE FB 42 05 02 00 00 00 FA FB 42 05 02 00 00 
{72} normal block at 0x0000020542FBD450, 16 bytes long.
 Data: < &#234;&#130;&#156;&#246;           > 80 EA 82 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000020542FBD400, 16 bytes long.
 Data: <@&#233;&#130;&#156;&#246;           > 40 E9 82 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020542FBD680, 16 bytes long.
 Data: <&#248;W &#156;&#246;           > F8 57 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020542FBD860, 16 bytes long.
 Data: <&#216;W &#156;&#246;           > D8 57 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020542FBD310, 16 bytes long.
 Data: <P  &#156;&#246;           > 50 04 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020542FBE260, 16 bytes long.
 Data: <0  &#156;&#246;           > 30 04 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020542FBD630, 16 bytes long.
 Data: <&#224;  &#156;&#246;           > E0 02 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020542FBE1C0, 16 bytes long.
 Data: <   &#156;&#246;           > 10 04 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020542FBD590, 16 bytes long.
 Data: <p  &#156;&#246;           > 70 04 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020542FBD4F0, 16 bytes long.
 Data: < &#192;}&#156;&#246;           > 18 C0 7D 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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