Task 38667833

Name test_243-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND4623_0
Workunit 31610421
Created 25 Oct 2026, 9:39:43 UTC
Sent 25 Oct 2026, 9:39:50 UTC
Report deadline 30 Oct 2026, 9:39:50 UTC
Received 25 Oct 2026, 10:17:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 643627
Run time 19 min 6 sec
CPU time 17 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 763.78 MB
Peak swap size 13.18 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
04:47:06 (42832): wrapper (7.9.26016): starting
04:47:06 (42832): 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
04:47:07 (42832): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:47:07 (42832): 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\14\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\14\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
05:05:16 (42832): C:/Windows/system32/cmd.exe exited; CPU time 1032.718750
05:05:16 (42832): 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: 23890889 bytes.
Dumping objects ->
{3835497} normal block at 0x0000020AC1A256E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835486} normal block at 0x0000020AC1A25590, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x0000020AC1A25440, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835464} normal block at 0x0000020AC1A25670, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835453} normal block at 0x0000020AC1A25360, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835422} normal block at 0x0000020AC37AA850, 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) : {3835409} normal block at 0x0000020AC1A1FDC0, 8 bytes long.
 Data: <  &#155;&#193;    > 00 00 9B C1 0A 02 00 00 
{3833969} normal block at 0x0000020AC1A20630, 8 bytes long.
 Data: <&#160;L&#162;&#193;    > A0 4C A2 C1 0A 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000020AC1A22900, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000020AC1A170D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000020AC1A26020, 16 bytes long.
 Data: <&#184;r&#162;&#193;            > B8 72 A2 C1 0A 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000020AC1A26A70, 16 bytes long.
 Data: < r&#162;&#193;            > 90 72 A2 C1 0A 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020AC1A1E560, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000020AC1A26BB0, 16 bytes long.
 Data: <hr&#162;&#193;            > 68 72 A2 C1 0A 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020AC1A26ED0, 16 bytes long.
 Data: <@r&#162;&#193;            > 40 72 A2 C1 0A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020AC1A26E30, 16 bytes long.
 Data: < r&#162;&#193;            > 18 72 A2 C1 0A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020AC1A265C0, 16 bytes long.
 Data: <&#240;q&#162;&#193;            > F0 71 A2 C1 0A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020AC1A258A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000020AC1A26840, 16 bytes long.
 Data: <&#248;&#249;&#160;&#193;            > F8 F9 A0 C1 0A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020AC1A1E2C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000020AC1A263E0, 16 bytes long.
 Data: <&#208;&#249;&#160;&#193;            > D0 F9 A0 C1 0A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020AC1A26AC0, 16 bytes long.
 Data: <&#168;&#249;&#160;&#193;            > A8 F9 A0 C1 0A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020AC1A26DE0, 16 bytes long.
 Data: < &#249;&#160;&#193;            > 80 F9 A0 C1 0A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020AC1A26750, 16 bytes long.
 Data: <X&#249;&#160;&#193;            > 58 F9 A0 C1 0A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020AC1A266B0, 16 bytes long.
 Data: <0&#249;&#160;&#193;            > 30 F9 A0 C1 0A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020AC1A264D0, 16 bytes long.
 Data: < &#249;&#160;&#193;            > 08 F9 A0 C1 0A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020AC1A1E260, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000020AC1A26570, 16 bytes long.
 Data: <&#224;&#248;&#160;&#193;            > E0 F8 A0 C1 0A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020AC1A0F8E0, 320 bytes long.
 Data: <pe&#162;&#193;    `&#226;&#161;&#193;    > 70 65 A2 C1 0A 02 00 00 60 E2 A1 C1 0A 02 00 00 
{280} normal block at 0x0000020AC1A26390, 16 bytes long.
 Data: <&#208;q&#162;&#193;            > D0 71 A2 C1 0A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020AC1A26A20, 16 bytes long.
 Data: <&#168;q&#162;&#193;            > A8 71 A2 C1 0A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020AC1A1E140, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000020AC1A262F0, 16 bytes long.
 Data: < q&#162;&#193;            > 80 71 A2 C1 0A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020AC1A1E680, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000020AC1A26E80, 16 bytes long.
 Data: <&#200;p&#162;&#193;            > C8 70 A2 C1 0A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020AC1A26D40, 16 bytes long.
 Data: <&#160;p&#162;&#193;            > A0 70 A2 C1 0A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020AC1A26200, 16 bytes long.
 Data: <xp&#162;&#193;            > 78 70 A2 C1 0A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020AC1A26160, 16 bytes long.
 Data: <Pp&#162;&#193;            > 50 70 A2 C1 0A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020AC1A26CA0, 16 bytes long.
 Data: <(p&#162;&#193;            > 28 70 A2 C1 0A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020AC1A26CF0, 16 bytes long.
 Data: < p&#162;&#193;            > 00 70 A2 C1 0A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020AC1A269D0, 16 bytes long.
 Data: < R&#162;&#193;            > 10 52 A2 C1 0A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020AC1A25210, 40 bytes long.
 Data: <&#208;i&#162;&#193;    P&#168;z&#195;    > D0 69 A2 C1 0A 02 00 00 50 A8 7A C3 0A 02 00 00 
{266} normal block at 0x0000020AC1A26B60, 16 bytes long.
 Data: <&#224;o&#162;&#193;            > E0 6F A2 C1 0A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020AC1A26D90, 16 bytes long.
 Data: <&#184;o&#162;&#193;            > B8 6F A2 C1 0A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020AC1A1E0E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000020AC1A26520, 16 bytes long.
 Data: < o&#162;&#193;            > 90 6F A2 C1 0A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020AC1A26F90, 992 bytes long.
 Data: < e&#162;&#193;    &#224;&#224;&#161;&#193;    > 20 65 A2 C1 0A 02 00 00 E0 E0 A1 C1 0A 02 00 00 
{98} normal block at 0x0000020AC1A1E440, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000020AC1A20090, 16 bytes long.
 Data: <@&#241;&#160;&#193;            > 40 F1 A0 C1 0A 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000020AC1A0F140, 40 bytes long.
 Data: <  &#162;&#193;    @&#228;&#161;&#193;    > 90 00 A2 C1 0A 02 00 00 40 E4 A1 C1 0A 02 00 00 
{75} normal block at 0x0000020AC1A1FD20, 16 bytes long.
 Data: < &#234;&#247;&#208;&#246;           > 80 EA F7 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000020AC1A20310, 16 bytes long.
 Data: <@&#233;&#247;&#208;&#246;           > 40 E9 F7 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000020AC1A1FFA0, 16 bytes long.
 Data: <&#248;W&#244;&#208;&#246;           > F8 57 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000020AC1A20270, 16 bytes long.
 Data: <&#216;W&#244;&#208;&#246;           > D8 57 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000020AC1A20900, 16 bytes long.
 Data: <P &#244;&#208;&#246;           > 50 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020AC1A200E0, 16 bytes long.
 Data: <0 &#244;&#208;&#246;           > 30 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020AC1A203B0, 16 bytes long.
 Data: <&#224; &#244;&#208;&#246;           > E0 02 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020AC1A202C0, 16 bytes long.
 Data: <  &#244;&#208;&#246;           > 10 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020AC1A20220, 16 bytes long.
 Data: <p &#244;&#208;&#246;           > 70 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020AC1A1FAF0, 16 bytes long.
 Data: < &#192;&#242;&#208;&#246;           > 18 C0 F2 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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