Task 38671916

Name test_56-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND8245_0
Workunit 31614097
Created 25 Oct 2026, 21:56:34 UTC
Sent 25 Oct 2026, 21:56:38 UTC
Report deadline 30 Oct 2026, 21:56:38 UTC
Received 25 Oct 2026, 23:56:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613000
Run time 1 hours 13 min 16 sec
CPU time 1 hours 2 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 3,094.79 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 668.40 MB
Peak swap size 2.17 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
05:28:52 (12904): wrapper (7.9.26016): starting
05:28:52 (12904): 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
05:29:11 (12904): Library/usr/bin/tar.exe exited; CPU time 0.046875
05:29:11 (12904): 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
06:55:39 (12904): C:/Windows/system32/cmd.exe exited; CPU time 3747.046875
06:55:39 (12904): 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: 106690565 bytes.
Dumping objects ->
{3835217} normal block at 0x00000275C56B1480, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x00000275C56B0E60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x00000275C56B0D80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835184} normal block at 0x00000275C56B1170, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835173} normal block at 0x00000275C56B1020, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835142} normal block at 0x00000275C57A9470, 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) : {3835128} normal block at 0x00000275C3B37FD0, 8 bytes long.
 Data: <  M&#197;u   > 00 00 4D C5 75 02 00 00 
{3833963} normal block at 0x00000275C3B37DF0, 8 bytes long.
 Data: < J&#131;&#197;u   > 90 4A 83 C5 75 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000275C3B44120, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000275C3B26A50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000275C3B45E30, 16 bytes long.
 Data: <&#216;s&#180;&#195;u           > D8 73 B4 C3 75 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000275C3B45CA0, 16 bytes long.
 Data: <&#176;s&#180;&#195;u           > B0 73 B4 C3 75 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000275C3B3CEE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000275C3B45660, 16 bytes long.
 Data: < s&#180;&#195;u           > 88 73 B4 C3 75 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000275C3B45D90, 16 bytes long.
 Data: <`s&#180;&#195;u           > 60 73 B4 C3 75 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000275C3B45BB0, 16 bytes long.
 Data: <8s&#180;&#195;u           > 38 73 B4 C3 75 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000275C3B45C00, 16 bytes long.
 Data: < s&#180;&#195;u           > 10 73 B4 C3 75 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000275C3B3DC40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000275C3B45390, 16 bytes long.
 Data: <&#232;i&#178;&#195;u           > E8 69 B2 C3 75 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000275C3B3C760, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000275C3B45CF0, 16 bytes long.
 Data: <&#192;i&#178;&#195;u           > C0 69 B2 C3 75 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000275C3B457F0, 16 bytes long.
 Data: < i&#178;&#195;u           > 98 69 B2 C3 75 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000275C3B45570, 16 bytes long.
 Data: <pi&#178;&#195;u           > 70 69 B2 C3 75 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000275C3B45340, 16 bytes long.
 Data: <Hi&#178;&#195;u           > 48 69 B2 C3 75 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000275C3B456B0, 16 bytes long.
 Data: < i&#178;&#195;u           > 20 69 B2 C3 75 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000275C3B45D40, 16 bytes long.
 Data: <&#248;h&#178;&#195;u           > F8 68 B2 C3 75 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000275C3B3D660, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000275C3B45B60, 16 bytes long.
 Data: <&#208;h&#178;&#195;u           > D0 68 B2 C3 75 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000275C3B268D0, 320 bytes long.
 Data: <`[&#180;&#195;u   `&#214;&#179;&#195;u   > 60 5B B4 C3 75 02 00 00 60 D6 B3 C3 75 02 00 00 
{277} normal block at 0x00000275C3B45480, 16 bytes long.
 Data: <&#240;r&#180;&#195;u           > F0 72 B4 C3 75 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000275C3B45AC0, 16 bytes long.
 Data: <&#200;r&#180;&#195;u           > C8 72 B4 C3 75 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000275C3B3D4E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000275C3B452F0, 16 bytes long.
 Data: <&#160;r&#180;&#195;u           > A0 72 B4 C3 75 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000275C3B3D180, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000275C3B44FD0, 16 bytes long.
 Data: <&#232;q&#180;&#195;u           > E8 71 B4 C3 75 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000275C3B44F30, 16 bytes long.
 Data: <&#192;q&#180;&#195;u           > C0 71 B4 C3 75 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000275C3B45A70, 16 bytes long.
 Data: < q&#180;&#195;u           > 98 71 B4 C3 75 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000275C3B453E0, 16 bytes long.
 Data: <pq&#180;&#195;u           > 70 71 B4 C3 75 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000275C3B459D0, 16 bytes long.
 Data: <Hq&#180;&#195;u           > 48 71 B4 C3 75 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000275C3B458E0, 16 bytes long.
 Data: < q&#180;&#195;u           > 20 71 B4 C3 75 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000275C3B45C50, 16 bytes long.
 Data: < &#218;&#179;&#195;u           > 80 DA B3 C3 75 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000275C3B3DA80, 40 bytes long.
 Data: <P\&#180;&#195;u   p&#148;z&#197;u   > 50 5C B4 C3 75 02 00 00 70 94 7A C5 75 02 00 00 
{263} normal block at 0x00000275C3B450C0, 16 bytes long.
 Data: < q&#180;&#195;u           > 00 71 B4 C3 75 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000275C3B45610, 16 bytes long.
 Data: <&#216;p&#180;&#195;u           > D8 70 B4 C3 75 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000275C3B3CC40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000275C3B45430, 16 bytes long.
 Data: <&#176;p&#180;&#195;u           > B0 70 B4 C3 75 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000275C3B470B0, 992 bytes long.
 Data: <0T&#180;&#195;u   @&#204;&#179;&#195;u   > 30 54 B4 C3 75 02 00 00 40 CC B3 C3 75 02 00 00 
{95} normal block at 0x00000275C3B3CAC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000275C3B37DA0, 16 bytes long.
 Data: <p&#222;&#179;&#195;u           > 70 DE B3 C3 75 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000275C3B3DE70, 40 bytes long.
 Data: <&#160;}&#179;&#195;u   &#192;&#202;&#179;&#195;u   > A0 7D B3 C3 75 02 00 00 C0 CA B3 C3 75 02 00 00 
{72} normal block at 0x00000275C3B38480, 16 bytes long.
 Data: < &#234; @&#247;           > 80 EA 16 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000275C3B37B20, 16 bytes long.
 Data: <@&#233; @&#247;           > 40 E9 16 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000275C3B386B0, 16 bytes long.
 Data: <&#248;W @&#247;           > F8 57 13 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000275C3B37F30, 16 bytes long.
 Data: <&#216;W @&#247;           > D8 57 13 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000275C3B38660, 16 bytes long.
 Data: <P  @&#247;           > 50 04 13 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000275C3B37940, 16 bytes long.
 Data: <0  @&#247;           > 30 04 13 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000275C3B37CB0, 16 bytes long.
 Data: <&#224;  @&#247;           > E0 02 13 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000275C3B383E0, 16 bytes long.
 Data: <   @&#247;           > 10 04 13 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000275C3B37F80, 16 bytes long.
 Data: <p  @&#247;           > 70 04 13 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000275C3B37BC0, 16 bytes long.
 Data: < &#192; @&#247;           > 18 C0 11 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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