Task 38686775

Name test_565-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND4447_0
Workunit 31628189
Created 28 Oct 2026, 4:19:28 UTC
Sent 28 Oct 2026, 4:19:32 UTC
Report deadline 2 Nov 2026, 4:19:32 UTC
Received 28 Oct 2026, 6:05:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654590
Run time 1 hours 3 min 32 sec
CPU time 57 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,317.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 723.60 MB
Peak swap size 6.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:03:15 (2468): wrapper (7.9.26016): starting
22:03:15 (2468): 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
22:03:22 (2468): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:03:22 (2468): 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
23:05:19 (2468): C:/Windows/system32/cmd.exe exited; CPU time 3466.953125
23:05:19 (2468): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 bytes in 8 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: 59658533 bytes.
Dumping objects ->
{3835449} normal block at 0x0000020C4183A450, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835438} normal block at 0x0000020C41814120, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835427} normal block at 0x0000020C418140B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835416} normal block at 0x0000020C41813FD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835405} normal block at 0x0000020C41813F60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835374} normal block at 0x0000020C433DC7C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835363} normal block at 0x0000020C4186C890, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835360} normal block at 0x0000020C4180F700, 8 bytes long.
 Data: <  &#191;A    > 00 00 BF 41 0C 02 00 00 
{3834646} normal block at 0x0000020C4186CD70, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x0000020C4180F160, 8 bytes long.
 Data: < &#230;&#142;A    > 00 E6 8E 41 0C 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000020C4180FAE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020C41805850, 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 0x0000020C41815430, 16 bytes long.
 Data: < K A            > 18 4B 81 41 0C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020C418154D0, 16 bytes long.
 Data: <&#240;J A            > F0 4A 81 41 0C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020C4180DE80, 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 0x0000020C418153E0, 16 bytes long.
 Data: <&#200;J A            > C8 4A 81 41 0C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020C41815BB0, 16 bytes long.
 Data: <&#160;J A            > A0 4A 81 41 0C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020C418157A0, 16 bytes long.
 Data: <xJ A            > 78 4A 81 41 0C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020C41815250, 16 bytes long.
 Data: <PJ A            > 50 4A 81 41 0C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020C418142E0, 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 0x0000020C41815980, 16 bytes long.
 Data: < &#133; A            > 08 85 80 41 0C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020C4180E780, 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 0x0000020C41815B60, 16 bytes long.
 Data: <&#224;&#132; A            > E0 84 80 41 0C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020C41815700, 16 bytes long.
 Data: <&#184;&#132; A            > B8 84 80 41 0C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020C41814C60, 16 bytes long.
 Data: < &#132; A            > 90 84 80 41 0C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020C418157F0, 16 bytes long.
 Data: <h&#132; A            > 68 84 80 41 0C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020C41815AC0, 16 bytes long.
 Data: <@&#132; A            > 40 84 80 41 0C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020C41814DA0, 16 bytes long.
 Data: < &#132; A            > 18 84 80 41 0C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020C4180E5A0, 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 0x0000020C41815390, 16 bytes long.
 Data: <&#240;&#131; A            > F0 83 80 41 0C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020C418083F0, 320 bytes long.
 Data: < S A    &#160;&#229; A    > 90 53 81 41 0C 02 00 00 A0 E5 80 41 0C 02 00 00 
{272} normal block at 0x0000020C41815A70, 16 bytes long.
 Data: <0J A            > 30 4A 81 41 0C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020C41814CB0, 16 bytes long.
 Data: < J A            > 08 4A 81 41 0C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020C4180E060, 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 0x0000020C418156B0, 16 bytes long.
 Data: <&#224;I A            > E0 49 81 41 0C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020C4180E180, 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 0x0000020C41815610, 16 bytes long.
 Data: <(I A            > 28 49 81 41 0C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020C418155C0, 16 bytes long.
 Data: < I A            > 00 49 81 41 0C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020C41815570, 16 bytes long.
 Data: <&#216;H A            > D8 48 81 41 0C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020C4180F2A0, 16 bytes long.
 Data: <&#176;H A            > B0 48 81 41 0C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020C4180F250, 16 bytes long.
 Data: < H A            > 88 48 81 41 0C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020C4180F660, 16 bytes long.
 Data: <`H A            > 60 48 81 41 0C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020C4180F200, 16 bytes long.
 Data: <@@ A            > 40 40 81 41 0C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020C41814040, 40 bytes long.
 Data: < &#242; A    &#192;&#199;=C    > 00 F2 80 41 0C 02 00 00 C0 C7 3D 43 0C 02 00 00 
{258} normal block at 0x0000020C4180ED00, 16 bytes long.
 Data: <@H A            > 40 48 81 41 0C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020C4180F610, 16 bytes long.
 Data: < H A            > 18 48 81 41 0C 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020C4180DCA0, 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 0x0000020C4180F570, 16 bytes long.
 Data: <&#240;G A            > F0 47 81 41 0C 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000020C418147F0, 992 bytes long.
 Data: <p&#245; A    &#160;&#220; A    > 70 F5 80 41 0C 02 00 00 A0 DC 80 41 0C 02 00 00 
{90} normal block at 0x0000020C4180E2A0, 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 0x0000020C4180F7F0, 16 bytes long.
 Data: <&#160;&#198; A            > A0 C6 7F 41 0C 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000020C417FC6A0, 40 bytes long.
 Data: <&#240;&#247; A    &#160;&#226; A    > F0 F7 80 41 0C 02 00 00 A0 E2 80 41 0C 02 00 00 
{67} normal block at 0x0000020C4180EB70, 16 bytes long.
 Data: < &#234; z&#246;           > 80 EA 10 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020C4180F6B0, 16 bytes long.
 Data: <@&#233; z&#246;           > 40 E9 10 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020C4180F840, 16 bytes long.
 Data: <&#248;W z&#246;           > F8 57 0D 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020C4180F390, 16 bytes long.
 Data: <&#216;W z&#246;           > D8 57 0D 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020C4180FA20, 16 bytes long.
 Data: <P  z&#246;           > 50 04 0D 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020C4180ECB0, 16 bytes long.
 Data: <0  z&#246;           > 30 04 0D 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020C4180F750, 16 bytes long.
 Data: <&#224;  z&#246;           > E0 02 0D 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020C4180EDA0, 16 bytes long.
 Data: <   z&#246;           > 10 04 0D 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020C4180F7A0, 16 bytes long.
 Data: <p  z&#246;           > 70 04 0D 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020C4180EC10, 16 bytes long.
 Data: < &#192; z&#246;           > 18 C0 0B 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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