Task 38666968

Name test_633-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND9630_0
Workunit 31609686
Created 25 Oct 2026, 5:40:03 UTC
Sent 25 Oct 2026, 5:43:13 UTC
Report deadline 30 Oct 2026, 5:43:13 UTC
Received 25 Oct 2026, 9:08:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648025
Run time 17 min 51 sec
CPU time 16 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 46,380.59 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 742.17 MB
Peak swap size 10.00 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:49:41 (12524): wrapper (7.9.26016): starting
04:49:41 (12524): 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
04:49:42 (12524): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:49:42 (12524): 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
05:06:47 (12524): C:/Windows/system32/cmd.exe exited; CPU time 1008.750000
05:06:47 (12524): 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: 20451297 bytes.
Dumping objects ->
{3835270} normal block at 0x00000155818BC860, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x00000155FFB746B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x00000155FFB74640, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835237} normal block at 0x00000155FFB74B10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x00000155FFB74560, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835195} normal block at 0x00000155819062F0, 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) : {3835182} normal block at 0x00000155FFB6EB40, 8 bytes long.
 Data: <    U   > 00 00 0D 80 55 01 00 00 
{3833955} normal block at 0x00000155FFB6EE10, 8 bytes long.
 Data: <P0  U   > 50 30 99 81 55 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000155FFB70070, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000155FFB65C30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x00000155FFB75210, 16 bytes long.
 Data: < _&#183;&#255;U           > 08 5F B7 FF 55 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000155FFB75490, 16 bytes long.
 Data: <&#224;^&#183;&#255;U           > E0 5E B7 FF 55 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000155FFB6F060, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x00000155FFB74F40, 16 bytes long.
 Data: <&#184;^&#183;&#255;U           > B8 5E B7 FF 55 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000155FFB74EA0, 16 bytes long.
 Data: < ^&#183;&#255;U           > 90 5E B7 FF 55 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000155FFB75940, 16 bytes long.
 Data: <h^&#183;&#255;U           > 68 5E B7 FF 55 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000155FFB751C0, 16 bytes long.
 Data: <@^&#183;&#255;U           > 40 5E B7 FF 55 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000155FFB74410, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x00000155FFB75B70, 16 bytes long.
 Data: <&#184;&#221;&#182;&#255;U           > B8 DD B6 FF 55 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000155FFB6F8A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x00000155FFB75080, 16 bytes long.
 Data: < &#221;&#182;&#255;U           > 90 DD B6 FF 55 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000155FFB75670, 16 bytes long.
 Data: <h&#221;&#182;&#255;U           > 68 DD B6 FF 55 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000155FFB74E50, 16 bytes long.
 Data: <@&#221;&#182;&#255;U           > 40 DD B6 FF 55 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000155FFB74DB0, 16 bytes long.
 Data: < &#221;&#182;&#255;U           > 18 DD B6 FF 55 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000155FFB758F0, 16 bytes long.
 Data: <&#240;&#220;&#182;&#255;U           > F0 DC B6 FF 55 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000155FFB75A80, 16 bytes long.
 Data: <&#200;&#220;&#182;&#255;U           > C8 DC B6 FF 55 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000155FFB6F7E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x00000155FFB74EF0, 16 bytes long.
 Data: <&#160;&#220;&#182;&#255;U           > A0 DC B6 FF 55 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000155FFB6DCA0, 320 bytes long.
 Data: <&#240;N&#183;&#255;U   &#224;&#247;&#182;&#255;U   > F0 4E B7 FF 55 01 00 00 E0 F7 B6 FF 55 01 00 00 
{273} normal block at 0x00000155FFB75620, 16 bytes long.
 Data: < ^&#183;&#255;U           > 20 5E B7 FF 55 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000155FFB74D60, 16 bytes long.
 Data: <&#248;]&#183;&#255;U           > F8 5D B7 FF 55 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000155FFB6F360, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x00000155FFB75030, 16 bytes long.
 Data: <&#208;]&#183;&#255;U           > D0 5D B7 FF 55 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000155FFB6FF60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x00000155FFB74FE0, 16 bytes long.
 Data: < ]&#183;&#255;U           > 18 5D B7 FF 55 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000155FFB75760, 16 bytes long.
 Data: <&#240;\&#183;&#255;U           > F0 5C B7 FF 55 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000155FFB74D10, 16 bytes long.
 Data: <&#200;\&#183;&#255;U           > C8 5C B7 FF 55 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000155FFB74E00, 16 bytes long.
 Data: <&#160;\&#183;&#255;U           > A0 5C B7 FF 55 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000155FFB750D0, 16 bytes long.
 Data: <x\&#183;&#255;U           > 78 5C B7 FF 55 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000155FFB75B20, 16 bytes long.
 Data: <P\&#183;&#255;U           > 50 5C B7 FF 55 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000155FFB75A30, 16 bytes long.
 Data: <pH&#183;&#255;U           > 70 48 B7 FF 55 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000155FFB74870, 40 bytes long.
 Data: <0Z&#183;&#255;U   &#240;b  U   > 30 5A B7 FF 55 01 00 00 F0 62 90 81 55 01 00 00 
{259} normal block at 0x00000155FFB75120, 16 bytes long.
 Data: <0\&#183;&#255;U           > 30 5C B7 FF 55 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000155FFB75530, 16 bytes long.
 Data: < \&#183;&#255;U           > 08 5C B7 FF 55 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000155FFB6F5A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x00000155FFB74C20, 16 bytes long.
 Data: <&#224;[&#183;&#255;U           > E0 5B B7 FF 55 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000155FFB75BE0, 992 bytes long.
 Data: < L&#183;&#255;U   &#160;&#245;&#182;&#255;U   > 20 4C B7 FF 55 01 00 00 A0 F5 B6 FF 55 01 00 00 
{91} normal block at 0x00000155FFB6F780, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x00000155FFB6E460, 16 bytes long.
 Data: <@&#225;&#181;&#255;U           > 40 E1 B5 FF 55 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000155FFB5E140, 40 bytes long.
 Data: <`&#228;&#182;&#255;U    &#247;&#182;&#255;U   > 60 E4 B6 FF 55 01 00 00 80 F7 B6 FF 55 01 00 00 
{68} normal block at 0x00000155FFB6E8C0, 16 bytes long.
 Data: < &#234;+d&#246;           > 80 EA 2B 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000155FFB6E190, 16 bytes long.
 Data: <@&#233;+d&#246;           > 40 E9 2B 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000155FFB6EC80, 16 bytes long.
 Data: <&#248;W(d&#246;           > F8 57 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000155FFB6EC30, 16 bytes long.
 Data: <&#216;W(d&#246;           > D8 57 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000155FFB6EAF0, 16 bytes long.
 Data: <P (d&#246;           > 50 04 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000155FFB6E820, 16 bytes long.
 Data: <0 (d&#246;           > 30 04 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000155FFB6E6E0, 16 bytes long.
 Data: <&#224; (d&#246;           > E0 02 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000155FFB6EB90, 16 bytes long.
 Data: <  (d&#246;           > 10 04 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000155FFB6E7D0, 16 bytes long.
 Data: <p (d&#246;           > 70 04 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000155FFB6E2D0, 16 bytes long.
 Data: < &#192;&d&#246;           > 18 C0 26 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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