Task 38689064

Name test_984-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND7078_0
Workunit 31630342
Created 28 Oct 2026, 18:05:34 UTC
Sent 28 Oct 2026, 18:05:45 UTC
Report deadline 2 Nov 2026, 18:05:45 UTC
Received 28 Oct 2026, 18:38:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 616901
Run time 31 min 37 sec
CPU time 30 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 24,398.38 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 747.06 MB
Peak swap size 12.94 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
21:06:57 (26152): wrapper (7.9.26016): starting
21:06:57 (26152): 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
21:06:58 (26152): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:06:58 (26152): 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
21:37:41 (26152): C:/Windows/system32/cmd.exe exited; CPU time 1808.968750
21:37:41 (26152): 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: 32498085 bytes.
Dumping objects ->
{3835298} normal block at 0x0000018C75D94B40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835287} normal block at 0x0000018C75D95010, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835276} normal block at 0x0000018C75D94750, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835265} normal block at 0x0000018C75D94910, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x0000018C73FE4C60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835223} normal block at 0x0000018C75D071B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x0000018C7403D0F0, 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) : {3835209} normal block at 0x0000018C73FDDA60, 8 bytes long.
 Data: <  &#248;s&#140;   > 00 00 F8 73 8C 01 00 00 
{3834580} normal block at 0x0000018C7403C9A0, 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 0x0000018C73FDDF10, 8 bytes long.
 Data: < W&#214;u&#140;   > 20 57 D6 75 8C 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000018C73FE1C10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000018C73FD6490, 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 0x0000018C73FE5F40, 16 bytes long.
 Data: <&#184;k&#254;s&#140;           > B8 6B FE 73 8C 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000018C73FE6490, 16 bytes long.
 Data: < k&#254;s&#140;           > 90 6B FE 73 8C 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000018C73FDF4A0, 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 0x0000018C73FE6300, 16 bytes long.
 Data: <hk&#254;s&#140;           > 68 6B FE 73 8C 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000018C73FE5770, 16 bytes long.
 Data: <@k&#254;s&#140;           > 40 6B FE 73 8C 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018C73FE5C20, 16 bytes long.
 Data: < k&#254;s&#140;           > 18 6B FE 73 8C 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018C73FE62B0, 16 bytes long.
 Data: <&#240;j&#254;s&#140;           > F0 6A FE 73 8C 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000018C73FE4CD0, 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 0x0000018C73FE6260, 16 bytes long.
 Data: <&#168;&#183;&#252;s&#140;           > A8 B7 FC 73 8C 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000018C73FDFC20, 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 0x0000018C73FE6210, 16 bytes long.
 Data: < &#183;&#252;s&#140;           > 80 B7 FC 73 8C 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018C73FE61C0, 16 bytes long.
 Data: <X&#183;&#252;s&#140;           > 58 B7 FC 73 8C 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018C73FE5720, 16 bytes long.
 Data: <0&#183;&#252;s&#140;           > 30 B7 FC 73 8C 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018C73FE6080, 16 bytes long.
 Data: < &#183;&#252;s&#140;           > 08 B7 FC 73 8C 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018C73FE5BD0, 16 bytes long.
 Data: <&#224;&#182;&#252;s&#140;           > E0 B6 FC 73 8C 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018C73FE5B80, 16 bytes long.
 Data: <&#184;&#182;&#252;s&#140;           > B8 B6 FC 73 8C 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018C73FDF380, 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 0x0000018C73FE5B30, 16 bytes long.
 Data: < &#182;&#252;s&#140;           > 90 B6 FC 73 8C 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018C73FCB690, 320 bytes long.
 Data: <0[&#254;s&#140;    &#243;&#253;s&#140;   > 30 5B FE 73 8C 01 00 00 80 F3 FD 73 8C 01 00 00 
{278} normal block at 0x0000018C73FE63A0, 16 bytes long.
 Data: <&#208;j&#254;s&#140;           > D0 6A FE 73 8C 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018C73FE5810, 16 bytes long.
 Data: <&#168;j&#254;s&#140;           > A8 6A FE 73 8C 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018C73FDF560, 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 0x0000018C73FE5D60, 16 bytes long.
 Data: < j&#254;s&#140;           > 80 6A FE 73 8C 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000018C73FDFE00, 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 0x0000018C73FE5EA0, 16 bytes long.
 Data: <&#200;i&#254;s&#140;           > C8 69 FE 73 8C 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018C73FE5DB0, 16 bytes long.
 Data: <&#160;i&#254;s&#140;           > A0 69 FE 73 8C 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018C73FE5FE0, 16 bytes long.
 Data: <xi&#254;s&#140;           > 78 69 FE 73 8C 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018C73FE59A0, 16 bytes long.
 Data: <Pi&#254;s&#140;           > 50 69 FE 73 8C 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000018C73FE5AE0, 16 bytes long.
 Data: <(i&#254;s&#140;           > 28 69 FE 73 8C 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018C73FE5A40, 16 bytes long.
 Data: < i&#254;s&#140;           > 00 69 FE 73 8C 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018C73FE5D10, 16 bytes long.
 Data: <&#176;M&#254;s&#140;           > B0 4D FE 73 8C 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018C73FE4DB0, 40 bytes long.
 Data: < ]&#254;s&#140;   &#176;q&#208;u&#140;   > 10 5D FE 73 8C 01 00 00 B0 71 D0 75 8C 01 00 00 
{264} normal block at 0x0000018C73FE6170, 16 bytes long.
 Data: <&#224;h&#254;s&#140;           > E0 68 FE 73 8C 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000018C73FE5E50, 16 bytes long.
 Data: <&#184;h&#254;s&#140;           > B8 68 FE 73 8C 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018C73FDF6E0, 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 0x0000018C73FE5C70, 16 bytes long.
 Data: < h&#254;s&#140;           > 90 68 FE 73 8C 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000018C73FE6890, 992 bytes long.
 Data: <p\&#254;s&#140;   &#224;&#246;&#253;s&#140;   > 70 5C FE 73 8C 01 00 00 E0 F6 FD 73 8C 01 00 00 
{96} normal block at 0x0000018C73FDF5C0, 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 0x0000018C73FDE0F0, 16 bytes long.
 Data: < N&#254;s&#140;           > 90 4E FE 73 8C 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000018C73FE4E90, 40 bytes long.
 Data: <&#240;&#224;&#253;s&#140;   &#192;&#245;&#253;s&#140;   > F0 E0 FD 73 8C 01 00 00 C0 F5 FD 73 8C 01 00 00 
{73} normal block at 0x0000018C73FDE280, 16 bytes long.
 Data: < &#234;B &#246;           > 80 EA 42 7F F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000018C73FDE140, 16 bytes long.
 Data: <@&#233;B &#246;           > 40 E9 42 7F F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000018C73FDDCE0, 16 bytes long.
 Data: <&#248;W? &#246;           > F8 57 3F 7F F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000018C73FDDEC0, 16 bytes long.
 Data: <&#216;W? &#246;           > D8 57 3F 7F F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000018C73FDDE70, 16 bytes long.
 Data: <P ? &#246;           > 50 04 3F 7F F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000018C73FDDC90, 16 bytes long.
 Data: <0 ? &#246;           > 30 04 3F 7F F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000018C73FDDA10, 16 bytes long.
 Data: <&#224; ? &#246;           > E0 02 3F 7F F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000018C73FDD790, 16 bytes long.
 Data: <  ? &#246;           > 10 04 3F 7F F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000018C73FDDE20, 16 bytes long.
 Data: <p ? &#246;           > 70 04 3F 7F F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000018C73FDE000, 16 bytes long.
 Data: < &#192;= &#246;           > 18 C0 3D 7F F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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