Task 38688800

Name test_638-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND8078_0
Workunit 31630115
Created 28 Oct 2026, 16:13:45 UTC
Sent 28 Oct 2026, 16:13:51 UTC
Report deadline 2 Nov 2026, 16:13:51 UTC
Received 28 Oct 2026, 16:43:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 616901
Run time 28 min 22 sec
CPU time 26 min 15 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 24,398.38 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 753.73 MB
Peak swap size 12.94 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
19:15:31 (19976): wrapper (7.9.26016): starting
19:15:31 (19976): 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
19:15:33 (19976): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:15:33 (19976): 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
19:42:31 (19976): C:/Windows/system32/cmd.exe exited; CPU time 1575.250000
19:42:31 (19976): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 28869965 bytes.
Dumping objects ->
{3835298} normal block at 0x000002B36201CF10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835287} normal block at 0x000002B36201C490, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835276} normal block at 0x000002B36201CA40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835265} normal block at 0x000002B36201CE30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x000002B3602E4CD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835223} normal block at 0x000002B362068BC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000002B360349810, 140 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) : {3835209} normal block at 0x000002B3602DD9F0, 8 bytes long.
 Data: <  (`&#179;   > 00 00 28 60 B3 02 00 00 
{3834580} normal block at 0x000002B360349400, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000002B3602DD590, 8 bytes long.
 Data: < C.`&#179;   > 10 43 2E 60 B3 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002B3602E1AB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002B3602CED70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000002B3602E5D40, 16 bytes long.
 Data: <hg.`&#179;           > 68 67 2E 60 B3 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002B3602E5610, 16 bytes long.
 Data: <@g.`&#179;           > 40 67 2E 60 B3 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002B3602DF320, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000002B3602E5570, 16 bytes long.
 Data: < g.`&#179;           > 18 67 2E 60 B3 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002B3602E6060, 16 bytes long.
 Data: <&#240;f.`&#179;           > F0 66 2E 60 B3 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002B3602E5840, 16 bytes long.
 Data: <&#200;f.`&#179;           > C8 66 2E 60 B3 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002B3602E56B0, 16 bytes long.
 Data: <&#160;f.`&#179;           > A0 66 2E 60 B3 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002B3602E49C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000002B3602E6010, 16 bytes long.
 Data: <&#168;&#183;,`&#179;           > A8 B7 2C 60 B3 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002B3602DF560, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000002B3602E59D0, 16 bytes long.
 Data: < &#183;,`&#179;           > 80 B7 2C 60 B3 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002B3602E61A0, 16 bytes long.
 Data: <X&#183;,`&#179;           > 58 B7 2C 60 B3 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002B3602E5F20, 16 bytes long.
 Data: <0&#183;,`&#179;           > 30 B7 2C 60 B3 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002B3602E5980, 16 bytes long.
 Data: < &#183;,`&#179;           > 08 B7 2C 60 B3 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002B3602E5520, 16 bytes long.
 Data: <&#224;&#182;,`&#179;           > E0 B6 2C 60 B3 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002B3602E62E0, 16 bytes long.
 Data: <&#184;&#182;,`&#179;           > B8 B6 2C 60 B3 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002B3602DF620, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000002B3602E5B60, 16 bytes long.
 Data: < &#182;,`&#179;           > 90 B6 2C 60 B3 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002B3602CB690, 320 bytes long.
 Data: <`[.`&#179;    &#246;-`&#179;   > 60 5B 2E 60 B3 02 00 00 20 F6 2D 60 B3 02 00 00 
{278} normal block at 0x000002B3602E5750, 16 bytes long.
 Data: < f.`&#179;           > 80 66 2E 60 B3 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002B3602E5FC0, 16 bytes long.
 Data: <Xf.`&#179;           > 58 66 2E 60 B3 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002B3602DF980, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000002B3602E5F70, 16 bytes long.
 Data: <0f.`&#179;           > 30 66 2E 60 B3 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002B3602DF9E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000002B3602E6290, 16 bytes long.
 Data: <xe.`&#179;           > 78 65 2E 60 B3 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002B3602E5660, 16 bytes long.
 Data: <Pe.`&#179;           > 50 65 2E 60 B3 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002B3602E5CF0, 16 bytes long.
 Data: <(e.`&#179;           > 28 65 2E 60 B3 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002B3602E5CA0, 16 bytes long.
 Data: < e.`&#179;           > 00 65 2E 60 B3 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002B3602E54D0, 16 bytes long.
 Data: <&#216;d.`&#179;           > D8 64 2E 60 B3 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002B3602E5ED0, 16 bytes long.
 Data: <&#176;d.`&#179;           > B0 64 2E 60 B3 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002B3602E6240, 16 bytes long.
 Data: <&#224;H.`&#179;           > E0 48 2E 60 B3 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002B3602E48E0, 40 bytes long.
 Data: <@b.`&#179;   &#192;&#139; b&#179;   > 40 62 2E 60 B3 02 00 00 C0 8B 06 62 B3 02 00 00 
{264} normal block at 0x000002B3602E57F0, 16 bytes long.
 Data: < d.`&#179;           > 90 64 2E 60 B3 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002B3602E5E80, 16 bytes long.
 Data: <hd.`&#179;           > 68 64 2E 60 B3 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002B3602DF680, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000002B3602E5B10, 16 bytes long.
 Data: <@d.`&#179;           > 40 64 2E 60 B3 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002B3602E6440, 992 bytes long.
 Data: < [.`&#179;    &#246;-`&#179;   > 10 5B 2E 60 B3 02 00 00 80 F6 2D 60 B3 02 00 00 
{96} normal block at 0x000002B3602DEFC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000002B3602DDBD0, 16 bytes long.
 Data: <PI.`&#179;           > 50 49 2E 60 B3 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002B3602E4950, 40 bytes long.
 Data: <&#208;&#219;-`&#179;   &#192;&#239;-`&#179;   > D0 DB 2D 60 B3 02 00 00 C0 EF 2D 60 B3 02 00 00 
{73} normal block at 0x000002B3602DD630, 16 bytes long.
 Data: < &#234;B &#246;           > 80 EA 42 7F F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002B3602DD220, 16 bytes long.
 Data: <@&#233;B &#246;           > 40 E9 42 7F F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002B3602DDDB0, 16 bytes long.
 Data: <&#248;W? &#246;           > F8 57 3F 7F F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002B3602DDC20, 16 bytes long.
 Data: <&#216;W? &#246;           > D8 57 3F 7F F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002B3602DD090, 16 bytes long.
 Data: <P ? &#246;           > 50 04 3F 7F F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002B3602DD450, 16 bytes long.
 Data: <0 ? &#246;           > 30 04 3F 7F F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002B3602DD810, 16 bytes long.
 Data: <&#224; ? &#246;           > E0 02 3F 7F F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002B3602DD900, 16 bytes long.
 Data: <  ? &#246;           > 10 04 3F 7F F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002B3602DD540, 16 bytes long.
 Data: <p ? &#246;           > 70 04 3F 7F F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002B3602DDE50, 16 bytes long.
 Data: < &#192;= &#246;           > 18 C0 3D 7F F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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