Task 38671258

Name test_379-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND6691_0
Workunit 31613469
Created 25 Oct 2026, 19:58:09 UTC
Sent 25 Oct 2026, 19:58:12 UTC
Report deadline 30 Oct 2026, 19:58:12 UTC
Received 25 Oct 2026, 22:41:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630147
Run time 1 hours 13 min 34 sec
CPU time 1 hours 9 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,117.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 726.69 MB
Peak swap size 6.86 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:28:08 (16352): wrapper (7.9.26016): starting
06:28:08 (16352): 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
06:28:09 (16352): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:28:09 (16352): 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\1\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\1\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
07:41:03 (16352): C:/Windows/system32/cmd.exe exited; CPU time 4143.046875
07:41:03 (16352): 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: 65393001 bytes.
Dumping objects ->
{3835659} normal block at 0x000001D8DFFFCEA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835648} normal block at 0x000001D8DFFFCAB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835637} normal block at 0x000001D8DDF64670, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835626} normal block at 0x000001D8DDF64600, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835615} normal block at 0x000001D8DDF64590, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835584} normal block at 0x000001D8E0047590, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835573} normal block at 0x000001D8E005EB60, 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) : {3835570} normal block at 0x000001D8DDF5EA90, 8 bytes long.
 Data: <  A&#222;&#216;   > 00 00 41 DE D8 01 00 00 
{3834789} normal block at 0x000001D8E005F030, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834061} normal block at 0x000001D8DDF5EEA0, 8 bytes long.
 Data: <0  &#221;&#216;   > 30 A0 F8 DD D8 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001D8DDF609C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001D8DDF4EF90, 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 0x000001D8DDF65420, 16 bytes long.
 Data: <&#200;e &#221;&#216;           > C8 65 F6 DD D8 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001D8DDF65970, 16 bytes long.
 Data: < e &#221;&#216;           > A0 65 F6 DD D8 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D8DDF5FA70, 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 0x000001D8DDF65B50, 16 bytes long.
 Data: <xe &#221;&#216;           > 78 65 F6 DD D8 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D8DDF659C0, 16 bytes long.
 Data: <Pe &#221;&#216;           > 50 65 F6 DD D8 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D8DDF657E0, 16 bytes long.
 Data: <(e &#221;&#216;           > 28 65 F6 DD D8 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D8DDF65E70, 16 bytes long.
 Data: < e &#221;&#216;           > 00 65 F6 DD D8 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D8DDF647C0, 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 0x000001D8DDF65380, 16 bytes long.
 Data: <&#216;  &#221;&#216;           > D8 8B F5 DD D8 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D8DDF600D0, 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 0x000001D8DDF65FB0, 16 bytes long.
 Data: <&#176;  &#221;&#216;           > B0 8B F5 DD D8 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D8DDF65DD0, 16 bytes long.
 Data: <   &#221;&#216;           > 88 8B F5 DD D8 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D8DDF65790, 16 bytes long.
 Data: <`  &#221;&#216;           > 60 8B F5 DD D8 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D8DDF65CE0, 16 bytes long.
 Data: <8  &#221;&#216;           > 38 8B F5 DD D8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D8DDF656F0, 16 bytes long.
 Data: <   &#221;&#216;           > 10 8B F5 DD D8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D8DDF661E0, 16 bytes long.
 Data: <   &#221;&#216;           > E8 8A F5 DD D8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D8DDF5F7D0, 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 0x000001D8DDF660A0, 16 bytes long.
 Data: <&#192;  &#221;&#216;           > C0 8A F5 DD D8 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D8DDF58AC0, 320 bytes long.
 Data: < ` &#221;&#216;   &#208;  &#221;&#216;   > A0 60 F6 DD D8 01 00 00 D0 F7 F5 DD D8 01 00 00 
{277} normal block at 0x000001D8DDF66000, 16 bytes long.
 Data: < d &#221;&#216;           > E0 64 F6 DD D8 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D8DDF65D80, 16 bytes long.
 Data: <&#184;d &#221;&#216;           > B8 64 F6 DD D8 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D8DDF5FD70, 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 0x000001D8DDF65600, 16 bytes long.
 Data: < d &#221;&#216;           > 90 64 F6 DD D8 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D8DDF60130, 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 0x000001D8DDF65E20, 16 bytes long.
 Data: <&#216;c &#221;&#216;           > D8 63 F6 DD D8 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D8DDF66190, 16 bytes long.
 Data: <&#176;c &#221;&#216;           > B0 63 F6 DD D8 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D8DDF65510, 16 bytes long.
 Data: < c &#221;&#216;           > 88 63 F6 DD D8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D8DDF65F60, 16 bytes long.
 Data: <`c &#221;&#216;           > 60 63 F6 DD D8 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D8DDF66050, 16 bytes long.
 Data: <8c &#221;&#216;           > 38 63 F6 DD D8 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D8DDF65740, 16 bytes long.
 Data: < c &#221;&#216;           > 10 63 F6 DD D8 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D8DDF65830, 16 bytes long.
 Data: < I &#221;&#216;           > 10 49 F6 DD D8 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D8DDF64910, 40 bytes long.
 Data: <0X &#221;&#216;    u  &#216;   > 30 58 F6 DD D8 01 00 00 90 75 04 E0 D8 01 00 00 
{263} normal block at 0x000001D8DDF65F10, 16 bytes long.
 Data: < b &#221;&#216;           > F0 62 F6 DD D8 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D8DDF654C0, 16 bytes long.
 Data: <&#200;b &#221;&#216;           > C8 62 F6 DD D8 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D8DDF5FE90, 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 0x000001D8DDF65C90, 16 bytes long.
 Data: < b &#221;&#216;           > A0 62 F6 DD D8 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D8DDF662A0, 992 bytes long.
 Data: < \ &#221;&#216;      &#221;&#216;   > 90 5C F6 DD D8 01 00 00 90 FE F5 DD D8 01 00 00 
{95} normal block at 0x000001D8DDF60430, 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 0x000001D8DDF5EE50, 16 bytes long.
 Data: <   &#221;&#216;           > 90 FE F4 DD D8 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001D8DDF4FE90, 40 bytes long.
 Data: <P  &#221;&#216;   0  &#221;&#216;   > 50 EE F5 DD D8 01 00 00 30 04 F6 DD D8 01 00 00 
{70} normal block at 0x000001D8DDF5EFE0, 16 bytes long.
 Data: <  yb            > 80 EA 79 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D8DDF5E860, 16 bytes long.
 Data: <@ yb            > 40 E9 79 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D8DDF5F490, 16 bytes long.
 Data: < Wvb            > F8 57 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D8DDF5F300, 16 bytes long.
 Data: <&#216;Wvb            > D8 57 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D8DDF5F440, 16 bytes long.
 Data: <P vb            > 50 04 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D8DDF5EF90, 16 bytes long.
 Data: <0 vb            > 30 04 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D8DDF5F0D0, 16 bytes long.
 Data: <  vb            > E0 02 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D8DDF5EBD0, 16 bytes long.
 Data: <  vb            > 10 04 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D8DDF5E7C0, 16 bytes long.
 Data: <p vb            > 70 04 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D8DDF5EE00, 16 bytes long.
 Data: < &#192;tb            > 18 C0 74 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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