Task 38656255

Name test_722-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND0547_0
Workunit 31599993
Created 24 Oct 2026, 10:27:58 UTC
Sent 24 Oct 2026, 10:29:10 UTC
Report deadline 29 Oct 2026, 10:29:10 UTC
Received 24 Oct 2026, 13:57:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631047
Run time 2 hours 41 min 55 sec
CPU time 1 hours 58 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 14,933.54 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 751.14 MB
Peak swap size 9.21 GB
Peak disk usage 4.08 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:15:25 (2220): wrapper (7.9.26016): starting
20:15:25 (2220): 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
20:15:33 (2220): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:15:33 (2220): 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
22:54:21 (2220): C:/Windows/system32/cmd.exe exited; CPU time 7098.484375
22:54:21 (2220): 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: 121358471 bytes.
Dumping objects ->
{3835555} normal block at 0x0000020B23DE44B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835544} normal block at 0x0000020B23DE4BB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835533} normal block at 0x0000020B23DE46E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835522} normal block at 0x0000020B23DE4B40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835511} normal block at 0x0000020B23DE4AD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835480} normal block at 0x0000020B25DC47B0, 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) : {3835467} normal block at 0x0000020B23DDE8C0, 8 bytes long.
 Data: <   $    > 00 00 1A 24 0B 02 00 00 
{3834045} normal block at 0x0000020B23DDE690, 8 bytes long.
 Data: <p&#216;&#220;#    > 70 D8 DC 23 0B 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000020B23DE0CA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020B23DD5690, 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 0x0000020B23DE5550, 16 bytes long.
 Data: <Xa&#222;#            > 58 61 DE 23 0B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020B23DE50F0, 16 bytes long.
 Data: <0a&#222;#            > 30 61 DE 23 0B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020B23DDF290, 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 0x0000020B23DE50A0, 16 bytes long.
 Data: < a&#222;#            > 08 61 DE 23 0B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020B23DE5780, 16 bytes long.
 Data: < `&#222;#            > E0 60 DE 23 0B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020B23DE5000, 16 bytes long.
 Data: <&#184;`&#222;#            > B8 60 DE 23 0B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020B23DE56E0, 16 bytes long.
 Data: < `&#222;#            > 90 60 DE 23 0B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020B23DE47C0, 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 0x0000020B23DE4FB0, 16 bytes long.
 Data: <&#200; &#220;#            > C8 F3 DC 23 0B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020B23DDF350, 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 0x0000020B23DE5CD0, 16 bytes long.
 Data: <  &#220;#            > A0 F3 DC 23 0B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020B23DE5500, 16 bytes long.
 Data: <x &#220;#            > 78 F3 DC 23 0B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020B23DE5AF0, 16 bytes long.
 Data: <P &#220;#            > 50 F3 DC 23 0B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020B23DE5BE0, 16 bytes long.
 Data: <( &#220;#            > 28 F3 DC 23 0B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020B23DE5280, 16 bytes long.
 Data: <  &#220;#            > 00 F3 DC 23 0B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020B23DE5AA0, 16 bytes long.
 Data: <&#216; &#220;#            > D8 F2 DC 23 0B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020B23DDEFF0, 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 0x0000020B23DE5D70, 16 bytes long.
 Data: <&#176; &#220;#            > B0 F2 DC 23 0B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020B23DCF2B0, 320 bytes long.
 Data: <p]&#222;#      &#221;#    > 70 5D DE 23 0B 02 00 00 F0 EF DD 23 0B 02 00 00 
{273} normal block at 0x0000020B23DE5410, 16 bytes long.
 Data: <p`&#222;#            > 70 60 DE 23 0B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020B23DE5140, 16 bytes long.
 Data: <H`&#222;#            > 48 60 DE 23 0B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020B23DDF1D0, 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 0x0000020B23DE5C80, 16 bytes long.
 Data: < `&#222;#            > 20 60 DE 23 0B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020B23DDFC50, 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 0x0000020B23DE55F0, 16 bytes long.
 Data: <h_&#222;#            > 68 5F DE 23 0B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020B23DE5320, 16 bytes long.
 Data: <@_&#222;#            > 40 5F DE 23 0B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020B23DE5460, 16 bytes long.
 Data: < _&#222;#            > 18 5F DE 23 0B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020B23DE5A50, 16 bytes long.
 Data: < ^&#222;#            > F0 5E DE 23 0B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020B23DE5D20, 16 bytes long.
 Data: <&#200;^&#222;#            > C8 5E DE 23 0B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020B23DE5B90, 16 bytes long.
 Data: < ^&#222;#            > A0 5E DE 23 0B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020B23DE4F60, 16 bytes long.
 Data: < E&#222;#            > 20 45 DE 23 0B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020B23DE4520, 40 bytes long.
 Data: <`O&#222;#    &#176;G&#220;%    > 60 4F DE 23 0B 02 00 00 B0 47 DC 25 0B 02 00 00 
{259} normal block at 0x0000020B23DE53C0, 16 bytes long.
 Data: < ^&#222;#            > 80 5E DE 23 0B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020B23DE5370, 16 bytes long.
 Data: <X^&#222;#            > 58 5E DE 23 0B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020B23DDF4D0, 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 0x0000020B23DE5910, 16 bytes long.
 Data: <0^&#222;#            > 30 5E DE 23 0B 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020B23DE5E30, 992 bytes long.
 Data: < Y&#222;#    &#208; &#221;#    > 10 59 DE 23 0B 02 00 00 D0 F4 DD 23 0B 02 00 00 
{91} normal block at 0x0000020B23DDF530, 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 0x0000020B23DDE960, 16 bytes long.
 Data: <@ &#220;#            > 40 EF DC 23 0B 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000020B23DCEF40, 40 bytes long.
 Data: <` &#221;#    0 &#221;#    > 60 E9 DD 23 0B 02 00 00 30 F5 DD 23 0B 02 00 00 
{66} normal block at 0x0000020B23DDE780, 16 bytes long.
 Data: <                > 80 EA 01 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020B23DDEDC0, 16 bytes long.
 Data: <@               > 40 E9 01 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020B23DDE910, 16 bytes long.
 Data: < W              > F8 57 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020B23DDED70, 16 bytes long.
 Data: <&#216;W              > D8 57 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020B23DDDEC0, 16 bytes long.
 Data: <P               > 50 04 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020B23DDE7D0, 16 bytes long.
 Data: <0               > 30 04 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020B23DDE410, 16 bytes long.
 Data: <                > E0 02 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020B23DDE1E0, 16 bytes long.
 Data: <                > 10 04 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020B23DDE9B0, 16 bytes long.
 Data: <p               > 70 04 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020B23DDEA00, 16 bytes long.
 Data: < &#192;              > 18 C0 FC FA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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