Task 38665388

Name test_326-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND9565_0
Workunit 31608487
Created 25 Oct 2026, 1:04:22 UTC
Sent 25 Oct 2026, 1:06:38 UTC
Report deadline 30 Oct 2026, 1:06:38 UTC
Received 25 Oct 2026, 5:59:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654590
Run time 1 hours 11 min 59 sec
CPU time 1 hours 5 min 21 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 725.81 MB
Peak swap size 6.93 GB
Peak disk usage 3.75 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:48:40 (19824): wrapper (7.9.26016): starting
21:48:40 (19824): 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
21:48:47 (19824): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:48:47 (19824): 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
22:59:06 (19824): C:/Windows/system32/cmd.exe exited; CPU time 3921.312500
22:59:06 (19824): 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: 66514555 bytes.
Dumping objects ->
{3835449} normal block at 0x000002C86B639DC0, 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 0x000002C86B613FD0, 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 0x000002C86B613EF0, 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 0x000002C86B614580, 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 0x000002C86B614510, 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 0x000002C86D24CB40, 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 0x000002C86B66CA30, 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 0x000002C86B60F6B0, 8 bytes long.
 Data: <  &#165;k&#200;   > 00 00 A5 6B C8 02 00 00 
{3834646} normal block at 0x000002C86B66C2E0, 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 0x000002C86B60F2A0, 8 bytes long.
 Data: < &#230;nk&#200;   > 00 E6 6E 6B C8 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002C86B610760, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002C86B6052B0, 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 0x000002C86B6152F0, 16 bytes long.
 Data: < Kak&#200;           > 18 4B 61 6B C8 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002C86B6150C0, 16 bytes long.
 Data: <&#240;Jak&#200;           > F0 4A 61 6B C8 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002C86B60E0C0, 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 0x000002C86B6156B0, 16 bytes long.
 Data: <&#200;Jak&#200;           > C8 4A 61 6B C8 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002C86B6154D0, 16 bytes long.
 Data: <&#160;Jak&#200;           > A0 4A 61 6B C8 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002C86B614EE0, 16 bytes long.
 Data: <xJak&#200;           > 78 4A 61 6B C8 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002C86B615B10, 16 bytes long.
 Data: <PJak&#200;           > 50 4A 61 6B C8 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002C86B6144A0, 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 0x000002C86B615930, 16 bytes long.
 Data: < &#133;`k&#200;           > 08 85 60 6B C8 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002C86B60DCA0, 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 0x000002C86B615390, 16 bytes long.
 Data: <&#224;&#132;`k&#200;           > E0 84 60 6B C8 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002C86B615700, 16 bytes long.
 Data: <&#184;&#132;`k&#200;           > B8 84 60 6B C8 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002C86B614E40, 16 bytes long.
 Data: < &#132;`k&#200;           > 90 84 60 6B C8 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002C86B615610, 16 bytes long.
 Data: <h&#132;`k&#200;           > 68 84 60 6B C8 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002C86B615020, 16 bytes long.
 Data: <@&#132;`k&#200;           > 40 84 60 6B C8 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002C86B6157A0, 16 bytes long.
 Data: < &#132;`k&#200;           > 18 84 60 6B C8 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002C86B60DAC0, 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 0x000002C86B615110, 16 bytes long.
 Data: <&#240;&#131;`k&#200;           > F0 83 60 6B C8 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002C86B6083F0, 320 bytes long.
 Data: < Qak&#200;   &#192;&#218;`k&#200;   > 10 51 61 6B C8 02 00 00 C0 DA 60 6B C8 02 00 00 
{272} normal block at 0x000002C86B615520, 16 bytes long.
 Data: <0Jak&#200;           > 30 4A 61 6B C8 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002C86B614FD0, 16 bytes long.
 Data: < Jak&#200;           > 08 4A 61 6B C8 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002C86B60E5A0, 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 0x000002C86B615480, 16 bytes long.
 Data: <&#224;Iak&#200;           > E0 49 61 6B C8 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002C86B60E780, 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 0x000002C86B615890, 16 bytes long.
 Data: <(Iak&#200;           > 28 49 61 6B C8 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002C86B614DF0, 16 bytes long.
 Data: < Iak&#200;           > 00 49 61 6B C8 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002C86B615070, 16 bytes long.
 Data: <&#216;Hak&#200;           > D8 48 61 6B C8 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002C86B60F110, 16 bytes long.
 Data: <&#176;Hak&#200;           > B0 48 61 6B C8 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002C86B60ED00, 16 bytes long.
 Data: < Hak&#200;           > 88 48 61 6B C8 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002C86B60EBC0, 16 bytes long.
 Data: <`Hak&#200;           > 60 48 61 6B C8 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002C86B60EB20, 16 bytes long.
 Data: <0Dak&#200;           > 30 44 61 6B C8 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002C86B614430, 40 bytes long.
 Data: < &#235;`k&#200;   @&#203;$m&#200;   > 20 EB 60 6B C8 02 00 00 40 CB 24 6D C8 02 00 00 
{258} normal block at 0x000002C86B60FA20, 16 bytes long.
 Data: <@Hak&#200;           > 40 48 61 6B C8 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002C86B60F930, 16 bytes long.
 Data: < Hak&#200;           > 18 48 61 6B C8 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002C86B60DB20, 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 0x000002C86B60EF80, 16 bytes long.
 Data: <&#240;Gak&#200;           > F0 47 61 6B C8 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002C86B6147F0, 992 bytes long.
 Data: < &#239;`k&#200;    &#219;`k&#200;   > 80 EF 60 6B C8 02 00 00 20 DB 60 6B C8 02 00 00 
{90} normal block at 0x000002C86B60E7E0, 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 0x000002C86B60F610, 16 bytes long.
 Data: <&#160;&#198;_k&#200;           > A0 C6 5F 6B C8 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000002C86B5FC6A0, 40 bytes long.
 Data: < &#246;`k&#200;   &#224;&#231;`k&#200;   > 10 F6 60 6B C8 02 00 00 E0 E7 60 6B C8 02 00 00 
{67} normal block at 0x000002C86B60F1B0, 16 bytes long.
 Data: < &#234;\7&#247;           > 80 EA 5C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002C86B60F840, 16 bytes long.
 Data: <@&#233;\7&#247;           > 40 E9 5C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002C86B60F660, 16 bytes long.
 Data: <&#248;WY7&#247;           > F8 57 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002C86B60F5C0, 16 bytes long.
 Data: <&#216;WY7&#247;           > D8 57 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002C86B60EDA0, 16 bytes long.
 Data: <P Y7&#247;           > 50 04 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002C86B60EC10, 16 bytes long.
 Data: <0 Y7&#247;           > 30 04 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002C86B60F480, 16 bytes long.
 Data: <&#224; Y7&#247;           > E0 02 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002C86B60ECB0, 16 bytes long.
 Data: <  Y7&#247;           > 10 04 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002C86B60F070, 16 bytes long.
 Data: <p Y7&#247;           > 70 04 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002C86B60F160, 16 bytes long.
 Data: < &#192;W7&#247;           > 18 C0 57 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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