Task 38686981

Name test_450-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND3840_0
Workunit 31628387
Created 28 Oct 2026, 5:20:27 UTC
Sent 28 Oct 2026, 5:20:32 UTC
Report deadline 2 Nov 2026, 5:20:32 UTC
Received 28 Oct 2026, 6:32:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630626
Run time 23 min 9 sec
CPU time 20 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 40,323.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 734.72 MB
Peak swap size 5.45 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:09:30 (2188): wrapper (7.9.26016): starting
02:09:30 (2188): 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
02:09:31 (2188): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:09:31 (2188): 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\12\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\12\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
02:32:32 (2188): C:/Windows/system32/cmd.exe exited; CPU time 1226.109375
02:32:32 (2188): 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: 31232977 bytes.
Dumping objects ->
{3835576} normal block at 0x000001F2835BDC50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835565} normal block at 0x000001F2835BDFD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835554} normal block at 0x000001F281A057E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835543} normal block at 0x000001F281A053F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835532} normal block at 0x000001F281A05690, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835501} normal block at 0x000001F28360C230, 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) : {3835488} normal block at 0x000001F2819FDC70, 8 bytes long.
 Data: <  &#150; &#242;   > 00 00 96 81 F2 01 00 00 
{3833961} normal block at 0x000001F2819FDEA0, 8 bytes long.
 Data: <&#176;Cf&#131;&#242;   > B0 43 66 83 F2 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001F281A018C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001F2819F65E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001F281A06320, 16 bytes long.
 Data: <&#184;p&#160; &#242;           > B8 70 A0 81 F2 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F281A061E0, 16 bytes long.
 Data: < p&#160; &#242;           > 90 70 A0 81 F2 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F2819FF730, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001F281A06CD0, 16 bytes long.
 Data: <hp&#160; &#242;           > 68 70 A0 81 F2 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F281A069B0, 16 bytes long.
 Data: <@p&#160; &#242;           > 40 70 A0 81 F2 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F281A062D0, 16 bytes long.
 Data: < p&#160; &#242;           > 18 70 A0 81 F2 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F281A06280, 16 bytes long.
 Data: <&#240;o&#160; &#242;           > F0 6F A0 81 F2 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F281A052A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001F281A06870, 16 bytes long.
 Data: <&#168;&#247;&#158; &#242;           > A8 F7 9E 81 F2 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F2819FF8B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001F281A05E20, 16 bytes long.
 Data: < &#247;&#158; &#242;           > 80 F7 9E 81 F2 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F281A06190, 16 bytes long.
 Data: <X&#247;&#158; &#242;           > 58 F7 9E 81 F2 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F281A06960, 16 bytes long.
 Data: <0&#247;&#158; &#242;           > 30 F7 9E 81 F2 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F281A06780, 16 bytes long.
 Data: < &#247;&#158; &#242;           > 08 F7 9E 81 F2 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F281A05F10, 16 bytes long.
 Data: <&#224;&#246;&#158; &#242;           > E0 F6 9E 81 F2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F281A06460, 16 bytes long.
 Data: <&#184;&#246;&#158; &#242;           > B8 F6 9E 81 F2 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F2819FFB50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001F281A05FB0, 16 bytes long.
 Data: < &#246;&#158; &#242;           > 90 F6 9E 81 F2 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F2819EF690, 320 bytes long.
 Data: <&#176;_&#160; &#242;   P&#251;&#159; &#242;   > B0 5F A0 81 F2 01 00 00 50 FB 9F 81 F2 01 00 00 
{276} normal block at 0x000001F281A060F0, 16 bytes long.
 Data: <&#208;o&#160; &#242;           > D0 6F A0 81 F2 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F281A066E0, 16 bytes long.
 Data: <&#168;o&#160; &#242;           > A8 6F A0 81 F2 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F281A00270, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001F281A06B90, 16 bytes long.
 Data: < o&#160; &#242;           > 80 6F A0 81 F2 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F281A00150, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001F281A060A0, 16 bytes long.
 Data: <&#200;n&#160; &#242;           > C8 6E A0 81 F2 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F281A06C80, 16 bytes long.
 Data: <&#160;n&#160; &#242;           > A0 6E A0 81 F2 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F281A06820, 16 bytes long.
 Data: <xn&#160; &#242;           > 78 6E A0 81 F2 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F281A06A50, 16 bytes long.
 Data: <Pn&#160; &#242;           > 50 6E A0 81 F2 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F281A06690, 16 bytes long.
 Data: <(n&#160; &#242;           > 28 6E A0 81 F2 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F281A06000, 16 bytes long.
 Data: < n&#160; &#242;           > 00 6E A0 81 F2 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F281A068C0, 16 bytes long.
 Data: < W&#160; &#242;           > 00 57 A0 81 F2 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F281A05700, 40 bytes long.
 Data: <&#192;h&#160; &#242;   0&#194;`&#131;&#242;   > C0 68 A0 81 F2 01 00 00 30 C2 60 83 F2 01 00 00 
{262} normal block at 0x000001F281A06730, 16 bytes long.
 Data: <&#224;m&#160; &#242;           > E0 6D A0 81 F2 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F281A067D0, 16 bytes long.
 Data: <&#184;m&#160; &#242;           > B8 6D A0 81 F2 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F281A00510, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001F281A06640, 16 bytes long.
 Data: < m&#160; &#242;           > 90 6D A0 81 F2 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F281A06D90, 992 bytes long.
 Data: <@f&#160; &#242;     &#160; &#242;   > 40 66 A0 81 F2 01 00 00 10 05 A0 81 F2 01 00 00 
{94} normal block at 0x000001F2819FFD30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001F2819FDAE0, 16 bytes long.
 Data: < &#243;&#158; &#242;           > 90 F3 9E 81 F2 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001F2819EF390, 40 bytes long.
 Data: <&#224;&#218;&#159; &#242;   0&#253;&#159; &#242;   > E0 DA 9F 81 F2 01 00 00 30 FD 9F 81 F2 01 00 00 
{71} normal block at 0x000001F2819FDD60, 16 bytes long.
 Data: < &#234;aj&#246;           > 80 EA 61 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001F2819FE260, 16 bytes long.
 Data: <@&#233;aj&#246;           > 40 E9 61 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F2819FD9F0, 16 bytes long.
 Data: <&#248;W^j&#246;           > F8 57 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F2819FDE00, 16 bytes long.
 Data: <&#216;W^j&#246;           > D8 57 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F2819FD770, 16 bytes long.
 Data: <P ^j&#246;           > 50 04 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F2819FE6C0, 16 bytes long.
 Data: <0 ^j&#246;           > 30 04 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F2819FDF90, 16 bytes long.
 Data: <&#224; ^j&#246;           > E0 02 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F2819FE210, 16 bytes long.
 Data: <  ^j&#246;           > 10 04 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F2819FE490, 16 bytes long.
 Data: <p ^j&#246;           > 70 04 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F2819FE580, 16 bytes long.
 Data: < &#192;\j&#246;           > 18 C0 5C 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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