Task 38669142

Name test_255-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND7006_0
Workunit 31611526
Created 25 Oct 2026, 13:46:56 UTC
Sent 25 Oct 2026, 13:47:04 UTC
Report deadline 30 Oct 2026, 13:47:04 UTC
Received 25 Oct 2026, 14:15:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652843
Run time 25 min 31 sec
CPU time 24 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,198.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 742.23 MB
Peak swap size 12.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:50:14 (26136): wrapper (7.9.26016): starting
08:50:14 (26136): 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
08:50:15 (26136): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:50:15 (26136): 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
09:15:04 (26136): C:/Windows/system32/cmd.exe exited; CPU time 1492.093750
09:15:04 (26136): 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: 23298155 bytes.
Dumping objects ->
{3835550} normal block at 0x00000204C45C5DC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835539} normal block at 0x00000204C45C5B90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835528} normal block at 0x00000204C45C5D50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835517} normal block at 0x00000204C45C5C00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835506} normal block at 0x00000204C45C5CE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835475} normal block at 0x00000204C6288570, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835464} normal block at 0x00000204C629DEA0, 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) : {3835461} normal block at 0x00000204C45BE4A0, 8 bytes long.
 Data: <  Y&#196;    > 00 00 59 C4 04 02 00 00 
{3834683} normal block at 0x00000204C629DA80, 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 0x00000204C45BE1D0, 8 bytes long.
 Data: <&#160;B.&#198;    > A0 42 2E C6 04 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000204C45C0330, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000204C45AE9D0, 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 0x00000204C45C4660, 16 bytes long.
 Data: <&#200;V\&#196;            > C8 56 5C C4 04 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000204C45C4CA0, 16 bytes long.
 Data: <&#160;V\&#196;            > A0 56 5C C4 04 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000204C45BFB40, 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 0x00000204C45C49D0, 16 bytes long.
 Data: <xV\&#196;            > 78 56 5C C4 04 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000204C45C4610, 16 bytes long.
 Data: <PV\&#196;            > 50 56 5C C4 04 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000204C45C4E80, 16 bytes long.
 Data: <(V\&#196;            > 28 56 5C C4 04 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000204C45C4570, 16 bytes long.
 Data: < V\&#196;            > 00 56 5C C4 04 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000204C45C59D0, 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 0x00000204C45C50B0, 16 bytes long.
 Data: <H&#245;Z&#196;            > 48 F5 5A C4 04 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000204C45BFAE0, 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 0x00000204C45C4980, 16 bytes long.
 Data: < &#245;Z&#196;            > 20 F5 5A C4 04 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000204C45C45C0, 16 bytes long.
 Data: <&#248;&#244;Z&#196;            > F8 F4 5A C4 04 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000204C45C4750, 16 bytes long.
 Data: <&#208;&#244;Z&#196;            > D0 F4 5A C4 04 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000204C45C4520, 16 bytes long.
 Data: <&#168;&#244;Z&#196;            > A8 F4 5A C4 04 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000204C45C4C50, 16 bytes long.
 Data: < &#244;Z&#196;            > 80 F4 5A C4 04 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000204C45C4700, 16 bytes long.
 Data: <X&#244;Z&#196;            > 58 F4 5A C4 04 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000204C45BF1E0, 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 0x00000204C45C4930, 16 bytes long.
 Data: <0&#244;Z&#196;            > 30 F4 5A C4 04 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000204C45AF430, 320 bytes long.
 Data: <0I\&#196;    &#224;&#241;[&#196;    > 30 49 5C C4 04 02 00 00 E0 F1 5B C4 04 02 00 00 
{273} normal block at 0x00000204C45C4ED0, 16 bytes long.
 Data: <&#224;U\&#196;            > E0 55 5C C4 04 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000204C45C5330, 16 bytes long.
 Data: <&#184;U\&#196;            > B8 55 5C C4 04 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000204C45BFD20, 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 0x00000204C45C4A20, 16 bytes long.
 Data: < U\&#196;            > 90 55 5C C4 04 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000204C45BF6C0, 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 0x00000204C45C44D0, 16 bytes long.
 Data: <&#216;T\&#196;            > D8 54 5C C4 04 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000204C45C5240, 16 bytes long.
 Data: <&#176;T\&#196;            > B0 54 5C C4 04 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000204C45C5060, 16 bytes long.
 Data: < T\&#196;            > 88 54 5C C4 04 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000204C45C4A70, 16 bytes long.
 Data: <`T\&#196;            > 60 54 5C C4 04 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000204C45C51F0, 16 bytes long.
 Data: <8T\&#196;            > 38 54 5C C4 04 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000204C45C4480, 16 bytes long.
 Data: < T\&#196;            > 10 54 5C C4 04 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000204C45C5290, 16 bytes long.
 Data: <&#160;&#192;Z&#196;            > A0 C0 5A C4 04 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000204C45AC0A0, 40 bytes long.
 Data: < R\&#196;    p&#133;(&#198;    > 90 52 5C C4 04 02 00 00 70 85 28 C6 04 02 00 00 
{259} normal block at 0x00000204C45C4430, 16 bytes long.
 Data: <&#240;S\&#196;            > F0 53 5C C4 04 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000204C45C48E0, 16 bytes long.
 Data: <&#200;S\&#196;            > C8 53 5C C4 04 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000204C45BF0C0, 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 0x00000204C45C4840, 16 bytes long.
 Data: <&#160;S\&#196;            > A0 53 5C C4 04 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000204C45C53A0, 992 bytes long.
 Data: <@H\&#196;    &#192;&#240;[&#196;    > 40 48 5C C4 04 02 00 00 C0 F0 5B C4 04 02 00 00 
{91} normal block at 0x00000204C45BFA20, 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 0x00000204C45BED60, 16 bytes long.
 Data: <0&#253;Z&#196;            > 30 FD 5A C4 04 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000204C45AFD30, 40 bytes long.
 Data: <`&#237;[&#196;     &#250;[&#196;    > 60 ED 5B C4 04 02 00 00 20 FA 5B C4 04 02 00 00 
{68} normal block at 0x00000204C45BE130, 16 bytes long.
 Data: < &#234;2&#181;&#246;           > 80 EA 32 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000204C45BE5E0, 16 bytes long.
 Data: <@&#233;2&#181;&#246;           > 40 E9 32 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000204C45BDE10, 16 bytes long.
 Data: <&#248;W/&#181;&#246;           > F8 57 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000204C45BEB80, 16 bytes long.
 Data: <&#216;W/&#181;&#246;           > D8 57 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000204C45BE090, 16 bytes long.
 Data: <P /&#181;&#246;           > 50 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000204C45BE360, 16 bytes long.
 Data: <0 /&#181;&#246;           > 30 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000204C45BEBD0, 16 bytes long.
 Data: <&#224; /&#181;&#246;           > E0 02 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000204C45BE4F0, 16 bytes long.
 Data: <  /&#181;&#246;           > 10 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000204C45BE0E0, 16 bytes long.
 Data: <p /&#181;&#246;           > 70 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000204C45BE720, 16 bytes long.
 Data: < &#192;-&#181;&#246;           > 18 C0 2D B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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