Task 38648623

Name test_410-GPUGRID_TEST_ATM_40STEP_20261023-0-40-RND0092_0
Workunit 31593320
Created 23 Oct 2026, 20:47:00 UTC
Sent 24 Oct 2026, 2:12:31 UTC
Report deadline 29 Oct 2026, 2:12:31 UTC
Received 24 Oct 2026, 4:11:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 594606
Run time 47 min 39 sec
CPU time 46 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,101.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 738.57 MB
Peak swap size 14.39 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:24:59 (25264): wrapper (7.9.26016): starting
23:24:59 (25264): 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
23:25:02 (25264): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:25:02 (25264): 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 'D:\ProgramData\BOINC\slots\2\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 'D:\ProgramData\BOINC\slots\2\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
00:11:07 (25264): C:/Windows/system32/cmd.exe exited; CPU time 2798.640625
00:11:07 (25264): 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: 53919803 bytes.
Dumping objects ->
{3835255} normal block at 0x000001C35623EB10, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x000001C3543D6560, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x000001C3543D64F0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835222} normal block at 0x000001C3543D6A30, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x000001C3543D6B10, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835180} normal block at 0x000001C35628AB10, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835167} normal block at 0x000001C3543CF420, 8 bytes long.
 Data: <  &#151;T&#195;   > 00 00 97 54 C3 01 00 00 
{3833953} normal block at 0x000001C3543CF060, 8 bytes long.
 Data: <   V&#195;   > 80 18 1C 56 C3 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001C3543C6EB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C3543C80E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000001C3543D6F40, 16 bytes long.
 Data: <  =T&#195;           > 08 7F 3D 54 C3 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C3543D7850, 16 bytes long.
 Data: <&#224;~=T&#195;           > E0 7E 3D 54 C3 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C3543D0C10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000001C3543D7760, 16 bytes long.
 Data: <&#184;~=T&#195;           > B8 7E 3D 54 C3 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C3543D6CC0, 16 bytes long.
 Data: < ~=T&#195;           > 90 7E 3D 54 C3 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C3543D7800, 16 bytes long.
 Data: <h~=T&#195;           > 68 7E 3D 54 C3 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C3543D72B0, 16 bytes long.
 Data: <@~=T&#195;           > 40 7E 3D 54 C3 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C3543D6950, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000001C3543D6C70, 16 bytes long.
 Data: <&#184;&#164;<T&#195;           > B8 A4 3C 54 C3 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C3543D05B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000001C3543D7990, 16 bytes long.
 Data: < &#164;<T&#195;           > 90 A4 3C 54 C3 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C3543D7710, 16 bytes long.
 Data: <h&#164;<T&#195;           > 68 A4 3C 54 C3 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C3543D7620, 16 bytes long.
 Data: <@&#164;<T&#195;           > 40 A4 3C 54 C3 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C3543D76C0, 16 bytes long.
 Data: < &#164;<T&#195;           > 18 A4 3C 54 C3 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C3543D7670, 16 bytes long.
 Data: <&#240;&#163;<T&#195;           > F0 A3 3C 54 C3 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C3543D77B0, 16 bytes long.
 Data: <&#200;&#163;<T&#195;           > C8 A3 3C 54 C3 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C3543D1330, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x000001C3543D6D60, 16 bytes long.
 Data: <&#160;&#163;<T&#195;           > A0 A3 3C 54 C3 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C3543CA3A0, 320 bytes long.
 Data: <`m=T&#195;   0 =T&#195;   > 60 6D 3D 54 C3 01 00 00 30 13 3D 54 C3 01 00 00 
{272} normal block at 0x000001C3543D7260, 16 bytes long.
 Data: < ~=T&#195;           > 20 7E 3D 54 C3 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C3543D6C20, 16 bytes long.
 Data: <&#248;}=T&#195;           > F8 7D 3D 54 C3 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C3543D13F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000001C3543D73A0, 16 bytes long.
 Data: <&#208;}=T&#195;           > D0 7D 3D 54 C3 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C3543D0A30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000001C3543D6FE0, 16 bytes long.
 Data: < }=T&#195;           > 18 7D 3D 54 C3 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C3543D7AD0, 16 bytes long.
 Data: <&#240;|=T&#195;           > F0 7C 3D 54 C3 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C3543D7B70, 16 bytes long.
 Data: <&#200;|=T&#195;           > C8 7C 3D 54 C3 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C3543D6F90, 16 bytes long.
 Data: <&#160;|=T&#195;           > A0 7C 3D 54 C3 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C3543D6E00, 16 bytes long.
 Data: <x|=T&#195;           > 78 7C 3D 54 C3 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C3543D6EF0, 16 bytes long.
 Data: <P|=T&#195;           > 50 7C 3D 54 C3 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C3543D7210, 16 bytes long.
 Data: < g=T&#195;           > 90 67 3D 54 C3 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001C3543D6790, 40 bytes long.
 Data: < r=T&#195;    &#171;(V&#195;   > 10 72 3D 54 C3 01 00 00 10 AB 28 56 C3 01 00 00 
{258} normal block at 0x000001C3543D7490, 16 bytes long.
 Data: <0|=T&#195;           > 30 7C 3D 54 C3 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001C3543D7030, 16 bytes long.
 Data: < |=T&#195;           > 08 7C 3D 54 C3 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001C3543D0BB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000001C3543D6D10, 16 bytes long.
 Data: <&#224;{=T&#195;           > E0 7B 3D 54 C3 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001C3543D7BE0, 992 bytes long.
 Data: < m=T&#195;   &#176; =T&#195;   > 10 6D 3D 54 C3 01 00 00 B0 0B 3D 54 C3 01 00 00 
{90} normal block at 0x000001C3543D06D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000001C3543CEED0, 16 bytes long.
 Data: < &#255;<T&#195;           > 80 FF 3C 54 C3 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001C3543CFF80, 40 bytes long.
 Data: <&#208;&#238;<T&#195;   &#208; =T&#195;   > D0 EE 3C 54 C3 01 00 00 D0 06 3D 54 C3 01 00 00 
{67} normal block at 0x000001C3543CEC50, 16 bytes long.
 Data: < &#234;&#218;m&#247;           > 80 EA DA 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C3543CE610, 16 bytes long.
 Data: <@&#233;&#218;m&#247;           > 40 E9 DA 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C3543CF4C0, 16 bytes long.
 Data: <&#248;W&#215;m&#247;           > F8 57 D7 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C3543CED90, 16 bytes long.
 Data: <&#216;W&#215;m&#247;           > D8 57 D7 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C3543CEBB0, 16 bytes long.
 Data: <P &#215;m&#247;           > 50 04 D7 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C3543CE9D0, 16 bytes long.
 Data: <0 &#215;m&#247;           > 30 04 D7 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C3543CEE80, 16 bytes long.
 Data: <&#224; &#215;m&#247;           > E0 02 D7 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001C3543CEB60, 16 bytes long.
 Data: <  &#215;m&#247;           > 10 04 D7 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001C3543CEE30, 16 bytes long.
 Data: <p &#215;m&#247;           > 70 04 D7 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001C3543CF3D0, 16 bytes long.
 Data: < &#192;&#213;m&#247;           > 18 C0 D5 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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