Task 38697996

Name test_670-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND6236_0
Workunit 31638531
Created 2 Nov 2026, 1:32:31 UTC
Sent 2 Nov 2026, 1:32:33 UTC
Report deadline 7 Nov 2026, 1:32:33 UTC
Received 2 Nov 2026, 3:23:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 605888
Run time 1 hours 12 min 13 sec
CPU time 1 hours 10 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,503.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 713.23 MB
Peak swap size 9.73 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:11:10 (41668): wrapper (7.9.26016): starting
03:11:10 (41668): 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
03:11:11 (41668): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:11:11 (41668): 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
04:23:02 (41668): C:/Windows/system32/cmd.exe exited; CPU time 4244.890625
04:23:02 (41668): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 99864289 bytes.
Dumping objects ->
{3835272} normal block at 0x0000022732870DF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835261} normal block at 0x0000022732871100, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835250} normal block at 0x0000022732871410, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835239} normal block at 0x0000022732871170, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x00000227328713A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835197} normal block at 0x000002273291BCC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x000002273297D400, 102 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) : {3835183} normal block at 0x0000022730C96740, 8 bytes long.
 Data: <  &#194;0'   > 00 00 C2 30 27 02 00 00 
{3834560} normal block at 0x000002273297DFB0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x0000022730C966F0, 8 bytes long.
 Data: <&#192;G&#163;2'   > C0 47 A3 32 27 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000022730CA1610, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022730C8A6D0, 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 0x0000022730CA3280, 16 bytes long.
 Data: < =&#202;0'           > 88 3D CA 30 27 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022730CA3230, 16 bytes long.
 Data: <`=&#202;0'           > 60 3D CA 30 27 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022730C9C180, 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 0x0000022730CA30A0, 16 bytes long.
 Data: <8=&#202;0'           > 38 3D CA 30 27 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022730CA2BF0, 16 bytes long.
 Data: < =&#202;0'           > 10 3D CA 30 27 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022730CA3000, 16 bytes long.
 Data: <&#232;<&#202;0'           > E8 3C CA 30 27 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022730CA2B50, 16 bytes long.
 Data: <&#192;<&#202;0'           > C0 3C CA 30 27 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022730C9D8E0, 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 0x0000022730CA2740, 16 bytes long.
 Data: <&#216;_&#200;0'           > D8 5F C8 30 27 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022730C9B760, 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 0x0000022730CA2FB0, 16 bytes long.
 Data: <&#176;_&#200;0'           > B0 5F C8 30 27 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022730CA3460, 16 bytes long.
 Data: < _&#200;0'           > 88 5F C8 30 27 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022730CA3140, 16 bytes long.
 Data: <`_&#200;0'           > 60 5F C8 30 27 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022730CA2A60, 16 bytes long.
 Data: <8_&#200;0'           > 38 5F C8 30 27 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022730CA2F10, 16 bytes long.
 Data: < _&#200;0'           > 10 5F C8 30 27 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022730CA3550, 16 bytes long.
 Data: <&#232;^&#200;0'           > E8 5E C8 30 27 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022730C9C060, 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 0x0000022730CA2A10, 16 bytes long.
 Data: <&#192;^&#200;0'           > C0 5E C8 30 27 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022730C85EC0, 320 bytes long.
 Data: < *&#202;0'   `&#192;&#201;0'   > 10 2A CA 30 27 02 00 00 60 C0 C9 30 27 02 00 00 
{273} normal block at 0x0000022730CA2AB0, 16 bytes long.
 Data: <&#160;<&#202;0'           > A0 3C CA 30 27 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022730CA33C0, 16 bytes long.
 Data: <x<&#202;0'           > 78 3C CA 30 27 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022730C9BB20, 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 0x0000022730CA27E0, 16 bytes long.
 Data: <P<&#202;0'           > 50 3C CA 30 27 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022730C9B940, 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 0x0000022730CA29C0, 16 bytes long.
 Data: < ;&#202;0'           > 98 3B CA 30 27 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022730CA2E20, 16 bytes long.
 Data: <p;&#202;0'           > 70 3B CA 30 27 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022730CA28D0, 16 bytes long.
 Data: <H;&#202;0'           > 48 3B CA 30 27 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022730CA2DD0, 16 bytes long.
 Data: < ;&#202;0'           > 20 3B CA 30 27 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022730CA2970, 16 bytes long.
 Data: <&#248;:&#202;0'           > F8 3A CA 30 27 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022730CA2F60, 16 bytes long.
 Data: <&#208;:&#202;0'           > D0 3A CA 30 27 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022730CA3320, 16 bytes long.
 Data: < &#219;&#201;0'           > 10 DB C9 30 27 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022730C9DB10, 40 bytes long.
 Data: < 3&#202;0'   &#192;&#188;&#145;2'   > 20 33 CA 30 27 02 00 00 C0 BC 91 32 27 02 00 00 
{259} normal block at 0x0000022730CA3370, 16 bytes long.
 Data: <&#176;:&#202;0'           > B0 3A CA 30 27 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022730CA31E0, 16 bytes long.
 Data: < :&#202;0'           > 88 3A CA 30 27 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000022730C9B3A0, 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 0x0000022730CA2B00, 16 bytes long.
 Data: <`:&#202;0'           > 60 3A CA 30 27 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000022730CA3A60, 992 bytes long.
 Data: < +&#202;0'   &#160;&#179;&#201;0'   > 00 2B CA 30 27 02 00 00 A0 B3 C9 30 27 02 00 00 
{91} normal block at 0x0000022730C9B6A0, 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 0x0000022730C97500, 16 bytes long.
 Data: <&#160;&#218;&#201;0'           > A0 DA C9 30 27 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000022730C9DAA0, 40 bytes long.
 Data: < u&#201;0'   &#160;&#182;&#201;0'   > 00 75 C9 30 27 02 00 00 A0 B6 C9 30 27 02 00 00 
{68} normal block at 0x0000022730C965B0, 16 bytes long.
 Data: < &#234;q&#251;&#247;           > 80 EA 71 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022730C96790, 16 bytes long.
 Data: <@&#233;q&#251;&#247;           > 40 E9 71 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022730C970F0, 16 bytes long.
 Data: <&#248;Wn&#251;&#247;           > F8 57 6E FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022730C97050, 16 bytes long.
 Data: <&#216;Wn&#251;&#247;           > D8 57 6E FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022730C97320, 16 bytes long.
 Data: <P n&#251;&#247;           > 50 04 6E FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022730C96F10, 16 bytes long.
 Data: <0 n&#251;&#247;           > 30 04 6E FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022730C96EC0, 16 bytes long.
 Data: <&#224; n&#251;&#247;           > E0 02 6E FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022730C96880, 16 bytes long.
 Data: <  n&#251;&#247;           > 10 04 6E FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000022730C96E70, 16 bytes long.
 Data: <p n&#251;&#247;           > 70 04 6E FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000022730C97460, 16 bytes long.
 Data: < &#192;l&#251;&#247;           > 18 C0 6C FB F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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