Task 38689703

Name test_175-GPUGRID_TEST_ATM_4STEP_20261023-2-4-RND6905_0
Workunit 31630936
Created 28 Oct 2026, 22:58:41 UTC
Sent 28 Oct 2026, 22:58:48 UTC
Report deadline 2 Nov 2026, 22:58:48 UTC
Received 28 Oct 2026, 23:52:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 643074
Run time 43 min 28 sec
CPU time 36 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,848.68 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 684.22 MB
Peak swap size 3.08 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:10:34 (22116): wrapper (7.9.26016): starting
00:10:34 (22116): 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
00:10:36 (22116): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:10:36 (22116): 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\4\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\4\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
00:52:11 (22116): C:/Windows/system32/cmd.exe exited; CPU time 2170.203125
00:52:11 (22116): 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: 43235013 bytes.
Dumping objects ->
{3835267} normal block at 0x0000024FC65B5A70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835256} normal block at 0x0000024FC65B5760, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x0000024FC65B5B50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835234} normal block at 0x0000024FC65B56F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000024FC65B57D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835192} normal block at 0x0000024FC814C400, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835181} normal block at 0x0000024FC815F5E0, 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) : {3835178} normal block at 0x0000024FC65B0AA0, 8 bytes long.
 Data: <  X&#198;O   > 00 00 58 C6 4F 02 00 00 
{3834559} normal block at 0x0000024FC815FB60, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000024FC65AFFB0, 8 bytes long.
 Data: <@[ &#200;O   > 40 5B 1D C8 4F 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000024FC65B28C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024FC65A6980, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000024FC65B6F90, 16 bytes long.
 Data: < g[&#198;O           > 18 67 5B C6 4F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024FC65B70D0, 16 bytes long.
 Data: <&#240;f[&#198;O           > F0 66 5B C6 4F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024FC65AE850, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000024FC65B6E00, 16 bytes long.
 Data: <&#200;f[&#198;O           > C8 66 5B C6 4F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024FC65B7030, 16 bytes long.
 Data: <&#160;f[&#198;O           > A0 66 5B C6 4F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024FC65B6D60, 16 bytes long.
 Data: <xf[&#198;O           > 78 66 5B C6 4F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024FC65B7170, 16 bytes long.
 Data: <Pf[&#198;O           > 50 66 5B C6 4F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024FC65B5990, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000024FC65B6BD0, 16 bytes long.
 Data: <&#184;&#250;Z&#198;O           > B8 FA 5A C6 4F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024FC65AE310, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000024FC65B6A40, 16 bytes long.
 Data: < &#250;Z&#198;O           > 90 FA 5A C6 4F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024FC65B6CC0, 16 bytes long.
 Data: <h&#250;Z&#198;O           > 68 FA 5A C6 4F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024FC65B6C20, 16 bytes long.
 Data: <@&#250;Z&#198;O           > 40 FA 5A C6 4F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024FC65B6EA0, 16 bytes long.
 Data: < &#250;Z&#198;O           > 18 FA 5A C6 4F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024FC65B7120, 16 bytes long.
 Data: <&#240;&#249;Z&#198;O           > F0 F9 5A C6 4F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024FC65B7440, 16 bytes long.
 Data: <&#200;&#249;Z&#198;O           > C8 F9 5A C6 4F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024FC65AEDF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000024FC65B76C0, 16 bytes long.
 Data: <&#160;&#249;Z&#198;O           > A0 F9 5A C6 4F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024FC65AF9A0, 320 bytes long.
 Data: <&#192;v[&#198;O   &#240;&#237;Z&#198;O   > C0 76 5B C6 4F 02 00 00 F0 ED 5A C6 4F 02 00 00 
{274} normal block at 0x0000024FC65B6C70, 16 bytes long.
 Data: <0f[&#198;O           > 30 66 5B C6 4F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024FC65B6900, 16 bytes long.
 Data: < f[&#198;O           > 08 66 5B C6 4F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024FC65AEC10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000024FC65B7350, 16 bytes long.
 Data: <&#224;e[&#198;O           > E0 65 5B C6 4F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024FC65AE910, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000024FC65B6FE0, 16 bytes long.
 Data: <(e[&#198;O           > 28 65 5B C6 4F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024FC65B6D10, 16 bytes long.
 Data: < e[&#198;O           > 00 65 5B C6 4F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024FC65B6E50, 16 bytes long.
 Data: <&#216;d[&#198;O           > D8 64 5B C6 4F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024FC65B71C0, 16 bytes long.
 Data: <&#176;d[&#198;O           > B0 64 5B C6 4F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024FC65B73F0, 16 bytes long.
 Data: < d[&#198;O           > 88 64 5B C6 4F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024FC65B0140, 16 bytes long.
 Data: <`d[&#198;O           > 60 64 5B C6 4F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024FC65B0050, 16 bytes long.
 Data: <&#160;\[&#198;O           > A0 5C 5B C6 4F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024FC65B5CA0, 40 bytes long.
 Data: <P [&#198;O    &#196; &#200;O   > 50 00 5B C6 4F 02 00 00 00 C4 14 C8 4F 02 00 00 
{260} normal block at 0x0000024FC65AFE70, 16 bytes long.
 Data: <@d[&#198;O           > 40 64 5B C6 4F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024FC65B0410, 16 bytes long.
 Data: < d[&#198;O           > 18 64 5B C6 4F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024FC65AED90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000024FC65B0960, 16 bytes long.
 Data: <&#240;c[&#198;O           > F0 63 5B C6 4F 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000024FC65B63F0, 992 bytes long.
 Data: <`	[&#198;O    &#237;Z&#198;O   > 60 09 5B C6 4F 02 00 00 90 ED 5A C6 4F 02 00 00 
{92} normal block at 0x0000024FC65AE730, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000024FC65AFCE0, 16 bytes long.
 Data: < &#205;Y&#198;O           > 90 CD 59 C6 4F 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000024FC659CD90, 40 bytes long.
 Data: <&#224;&#252;Z&#198;O   0&#231;Z&#198;O   > E0 FC 5A C6 4F 02 00 00 30 E7 5A C6 4F 02 00 00 
{69} normal block at 0x0000024FC65B0370, 16 bytes long.
 Data: < &#234;L&#187;&#247;           > 80 EA 4C BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024FC65B03C0, 16 bytes long.
 Data: <@&#233;L&#187;&#247;           > 40 E9 4C BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024FC65B0460, 16 bytes long.
 Data: <&#248;WI&#187;&#247;           > F8 57 49 BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024FC65B09B0, 16 bytes long.
 Data: <&#216;WI&#187;&#247;           > D8 57 49 BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024FC65B0190, 16 bytes long.
 Data: <P I&#187;&#247;           > 50 04 49 BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024FC65B0690, 16 bytes long.
 Data: <0 I&#187;&#247;           > 30 04 49 BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024FC65B0500, 16 bytes long.
 Data: <&#224; I&#187;&#247;           > E0 02 49 BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024FC65AFC90, 16 bytes long.
 Data: <  I&#187;&#247;           > 10 04 49 BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024FC65B05F0, 16 bytes long.
 Data: <p I&#187;&#247;           > 70 04 49 BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000024FC65B0780, 16 bytes long.
 Data: < &#192;G&#187;&#247;           > 18 C0 47 BB F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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