Task 38667060

Name test_617-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND6683_1
Workunit 31609712
Created 25 Oct 2026, 6:08:37 UTC
Sent 25 Oct 2026, 6:09:41 UTC
Report deadline 30 Oct 2026, 6:09:41 UTC
Received 25 Oct 2026, 9:46:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 643627
Run time 21 min 18 sec
CPU time 19 min 15 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 770.46 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>
04:12:33 (44076): wrapper (7.9.26016): starting
04:12:33 (44076): 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
04:12:34 (44076): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:12:34 (44076): 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
04:32:55 (44076): C:/Windows/system32/cmd.exe exited; CPU time 1155.218750
04:32:55 (44076): 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: 26385307 bytes.
Dumping objects ->
{3835497} normal block at 0x00000239C3E86680, 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 0x00000239C3E86610, 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 0x00000239C3E864C0, 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 0x00000239C3E86450, 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 0x00000239C3E863E0, 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 0x00000239C5CE9960, 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 0x00000239C3E80820, 8 bytes long.
 Data: <  4&#196;9   > 00 00 34 C4 39 02 00 00 
{3833969} normal block at 0x00000239C3E80FF0, 8 bytes long.
 Data: <&#160;&#234;&#245;&#195;9   > A0 EA F5 C3 39 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000239C3E83760, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000239C3E77280, 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 0x00000239C3E873C0, 16 bytes long.
 Data: <&#216;~&#232;&#195;9           > D8 7E E8 C3 39 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000239C3E875F0, 16 bytes long.
 Data: <&#176;~&#232;&#195;9           > B0 7E E8 C3 39 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000239C3E7F220, 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 0x00000239C3E875A0, 16 bytes long.
 Data: < ~&#232;&#195;9           > 88 7E E8 C3 39 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000239C3E872D0, 16 bytes long.
 Data: <`~&#232;&#195;9           > 60 7E E8 C3 39 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000239C3E870A0, 16 bytes long.
 Data: <8~&#232;&#195;9           > 38 7E E8 C3 39 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000239C3E87820, 16 bytes long.
 Data: < ~&#232;&#195;9           > 10 7E E8 C3 39 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000239C3E86A00, 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 0x00000239C3E87910, 16 bytes long.
 Data: <8&#188;&#230;&#195;9           > 38 BC E6 C3 39 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000239C3E7E620, 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 0x00000239C3E87A50, 16 bytes long.
 Data: < &#188;&#230;&#195;9           > 10 BC E6 C3 39 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000239C3E87960, 16 bytes long.
 Data: <&#232;&#187;&#230;&#195;9           > E8 BB E6 C3 39 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000239C3E87190, 16 bytes long.
 Data: <&#192;&#187;&#230;&#195;9           > C0 BB E6 C3 39 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000239C3E87500, 16 bytes long.
 Data: < &#187;&#230;&#195;9           > 98 BB E6 C3 39 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000239C3E86F60, 16 bytes long.
 Data: <p&#187;&#230;&#195;9           > 70 BB E6 C3 39 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000239C3E86BF0, 16 bytes long.
 Data: <H&#187;&#230;&#195;9           > 48 BB E6 C3 39 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000239C3E7F4C0, 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 0x00000239C3E874B0, 16 bytes long.
 Data: < &#187;&#230;&#195;9           > 20 BB E6 C3 39 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000239C3E6BB20, 320 bytes long.
 Data: <&#176;t&#232;&#195;9   &#192;&#244;&#231;&#195;9   > B0 74 E8 C3 39 02 00 00 C0 F4 E7 C3 39 02 00 00 
{280} normal block at 0x00000239C3E87050, 16 bytes long.
 Data: <&#240;}&#232;&#195;9           > F0 7D E8 C3 39 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000239C3E87870, 16 bytes long.
 Data: <&#200;}&#232;&#195;9           > C8 7D E8 C3 39 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000239C3E7EE60, 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 0x00000239C3E87320, 16 bytes long.
 Data: <&#160;}&#232;&#195;9           > A0 7D E8 C3 39 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000239C3E7EB60, 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 0x00000239C3E87280, 16 bytes long.
 Data: <&#232;|&#232;&#195;9           > E8 7C E8 C3 39 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000239C3E87230, 16 bytes long.
 Data: <&#192;|&#232;&#195;9           > C0 7C E8 C3 39 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000239C3E878C0, 16 bytes long.
 Data: < |&#232;&#195;9           > 98 7C E8 C3 39 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000239C3E87000, 16 bytes long.
 Data: <p|&#232;&#195;9           > 70 7C E8 C3 39 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000239C3E876E0, 16 bytes long.
 Data: <H|&#232;&#195;9           > 48 7C E8 C3 39 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000239C3E871E0, 16 bytes long.
 Data: < |&#232;&#195;9           > 20 7C E8 C3 39 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000239C3E87780, 16 bytes long.
 Data: <0e&#232;&#195;9           > 30 65 E8 C3 39 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000239C3E86530, 40 bytes long.
 Data: < w&#232;&#195;9   ` &#206;&#197;9   > 80 77 E8 C3 39 02 00 00 60 99 CE C5 39 02 00 00 
{266} normal block at 0x00000239C3E87460, 16 bytes long.
 Data: < |&#232;&#195;9           > 00 7C E8 C3 39 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000239C3E87370, 16 bytes long.
 Data: <&#216;{&#232;&#195;9           > D8 7B E8 C3 39 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000239C3E7F160, 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 0x00000239C3E87550, 16 bytes long.
 Data: <&#176;{&#232;&#195;9           > B0 7B E8 C3 39 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000239C3E87BB0, 992 bytes long.
 Data: <Pu&#232;&#195;9   `&#241;&#231;&#195;9   > 50 75 E8 C3 39 02 00 00 60 F1 E7 C3 39 02 00 00 
{98} normal block at 0x00000239C3E7ECE0, 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 0x00000239C3E814A0, 16 bytes long.
 Data: < &#206;&#230;&#195;9           > 10 CE E6 C3 39 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x00000239C3E6CE10, 40 bytes long.
 Data: <&#160; &#232;&#195;9   &#224;&#236;&#231;&#195;9   > A0 14 E8 C3 39 02 00 00 E0 EC E7 C3 39 02 00 00 
{75} normal block at 0x00000239C3E81400, 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 0x00000239C3E80A50, 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 0x00000239C3E813B0, 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 0x00000239C3E81360, 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 0x00000239C3E81180, 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 0x00000239C3E80D20, 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 0x00000239C3E80F00, 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 0x00000239C3E80EB0, 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 0x00000239C3E812C0, 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 0x00000239C3E81270, 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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