Task 38687544

Name test_121-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND6959_0
Workunit 31628930
Created 28 Oct 2026, 8:23:29 UTC
Sent 28 Oct 2026, 8:23:33 UTC
Report deadline 2 Nov 2026, 8:23:33 UTC
Received 28 Oct 2026, 9:18:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652004
Run time 26 min 1 sec
CPU time 24 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 48,740.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 730.96 MB
Peak swap size 13.01 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:51:35 (13164): wrapper (7.9.26016): starting
02:51:35 (13164): 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
02:51:36 (13164): Library/usr/bin/tar.exe exited; CPU time 0.046875
02:51:36 (13164): 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\2\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\2\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
03:17:27 (13164): C:/Windows/system32/cmd.exe exited; CPU time 1486.421875
03:17:27 (13164): 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: 8852531 bytes.
Dumping objects ->
{3835257} normal block at 0x0000028FAA735D40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x0000028FAA735CD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x0000028FAA735C60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835224} normal block at 0x0000028FAA735DB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x0000028FAA735BF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835182} normal block at 0x0000028FAC55B780, 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) : {3835169} normal block at 0x0000028FAA72FB20, 8 bytes long.
 Data: <  m&#170;    > 00 00 6D AA 8F 02 00 00 
{3833955} normal block at 0x0000028FAA730250, 8 bytes long.
 Data: <`&#228; &#170;    > 60 E4 80 AA 8F 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000028FAA731FA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000028FAA720CA0, 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 0x0000028FAA737230, 16 bytes long.
 Data: <8gs&#170;            > 38 67 73 AA 8F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000028FAA737500, 16 bytes long.
 Data: < gs&#170;            > 10 67 73 AA 8F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000028FAA731030, 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 0x0000028FAA737280, 16 bytes long.
 Data: <&#232;fs&#170;            > E8 66 73 AA 8F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000028FAA7371E0, 16 bytes long.
 Data: <&#192;fs&#170;            > C0 66 73 AA 8F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000028FAA7377D0, 16 bytes long.
 Data: < fs&#170;            > 98 66 73 AA 8F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000028FAA7370F0, 16 bytes long.
 Data: <pfs&#170;            > 70 66 73 AA 8F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000028FAA735E90, 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 0x0000028FAA7370A0, 16 bytes long.
 Data: <x&#164;r&#170;            > 78 A4 72 AA 8F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000028FAA730E50, 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 0x0000028FAA737190, 16 bytes long.
 Data: <P&#164;r&#170;            > 50 A4 72 AA 8F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000028FAA736CE0, 16 bytes long.
 Data: <(&#164;r&#170;            > 28 A4 72 AA 8F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000028FAA736B00, 16 bytes long.
 Data: < &#164;r&#170;            > 00 A4 72 AA 8F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000028FAA737140, 16 bytes long.
 Data: <&#216;&#163;r&#170;            > D8 A3 72 AA 8F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000028FAA736880, 16 bytes long.
 Data: <&#176;&#163;r&#170;            > B0 A3 72 AA 8F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000028FAA737780, 16 bytes long.
 Data: < &#163;r&#170;            > 88 A3 72 AA 8F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000028FAA731990, 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 0x0000028FAA736AB0, 16 bytes long.
 Data: <`&#163;r&#170;            > 60 A3 72 AA 8F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000028FAA72A360, 320 bytes long.
 Data: <&#176;js&#170;      s&#170;    > B0 6A 73 AA 8F 02 00 00 90 19 73 AA 8F 02 00 00 
{273} normal block at 0x0000028FAA736A60, 16 bytes long.
 Data: <Pfs&#170;            > 50 66 73 AA 8F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000028FAA736DD0, 16 bytes long.
 Data: <(fs&#170;            > 28 66 73 AA 8F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000028FAA730DF0, 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 0x0000028FAA736D80, 16 bytes long.
 Data: < fs&#170;            > 00 66 73 AA 8F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000028FAA730F70, 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 0x0000028FAA737460, 16 bytes long.
 Data: <Hes&#170;            > 48 65 73 AA 8F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000028FAA736FB0, 16 bytes long.
 Data: < es&#170;            > 20 65 73 AA 8F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028FAA736A10, 16 bytes long.
 Data: <&#248;ds&#170;            > F8 64 73 AA 8F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000028FAA737410, 16 bytes long.
 Data: <&#208;ds&#170;            > D0 64 73 AA 8F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000028FAA7369C0, 16 bytes long.
 Data: <&#168;ds&#170;            > A8 64 73 AA 8F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000028FAA72FE40, 16 bytes long.
 Data: < ds&#170;            > 80 64 73 AA 8F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000028FAA72FD50, 16 bytes long.
 Data: <p_s&#170;            > 70 5F 73 AA 8F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000028FAA735F70, 40 bytes long.
 Data: <P&#253;r&#170;     &#183;U&#172;    > 50 FD 72 AA 8F 02 00 00 80 B7 55 AC 8F 02 00 00 
{259} normal block at 0x0000028FAA72FC10, 16 bytes long.
 Data: <`ds&#170;            > 60 64 73 AA 8F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000028FAA730390, 16 bytes long.
 Data: <8ds&#170;            > 38 64 73 AA 8F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000028FAA731690, 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 0x0000028FAA730340, 16 bytes long.
 Data: < ds&#170;            > 10 64 73 AA 8F 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000028FAA736410, 992 bytes long.
 Data: <@ s&#170;      s&#170;    > 40 03 73 AA 8F 02 00 00 90 16 73 AA 8F 02 00 00 
{91} normal block at 0x0000028FAA730C10, 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 0x0000028FAA72FAD0, 16 bytes long.
 Data: <  r&#170;            > 10 05 72 AA 8F 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000028FAA720510, 40 bytes long.
 Data: <&#208;&#250;r&#170;      s&#170;    > D0 FA 72 AA 8F 02 00 00 10 0C 73 AA 8F 02 00 00 
{68} normal block at 0x0000028FAA730980, 16 bytes long.
 Data: < &#234; &#133;&#247;           > 80 EA 02 85 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000028FAA730200, 16 bytes long.
 Data: <@&#233; &#133;&#247;           > 40 E9 02 85 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000028FAA7305C0, 16 bytes long.
 Data: <&#248;W&#255;&#132;&#247;           > F8 57 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000028FAA72FD00, 16 bytes long.
 Data: <&#216;W&#255;&#132;&#247;           > D8 57 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000028FAA730700, 16 bytes long.
 Data: <P &#255;&#132;&#247;           > 50 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000028FAA72FB70, 16 bytes long.
 Data: <0 &#255;&#132;&#247;           > 30 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000028FAA730020, 16 bytes long.
 Data: <&#224; &#255;&#132;&#247;           > E0 02 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000028FAA730890, 16 bytes long.
 Data: <  &#255;&#132;&#247;           > 10 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000028FAA730070, 16 bytes long.
 Data: <p &#255;&#132;&#247;           > 70 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000028FAA7301B0, 16 bytes long.
 Data: < &#192;&#253;&#132;&#247;           > 18 C0 FD 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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