Task 38680960

Name test_954-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND1931_0
Workunit 31622655
Created 27 Oct 2026, 2:09:14 UTC
Sent 27 Oct 2026, 2:09:20 UTC
Report deadline 1 Nov 2026, 2:09:20 UTC
Received 27 Oct 2026, 2:44:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638061
Run time 31 min 42 sec
CPU time 31 min 7 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 744.03 MB
Peak swap size 12.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:13:32 (23304): wrapper (7.9.26016): starting
21:13:32 (23304): 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
21:13:33 (23304): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:13:33 (23304): 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
21:44:31 (23304): C:/Windows/system32/cmd.exe exited; CPU time 1867.546875
21:44:31 (23304): 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: 25777203 bytes.
Dumping objects ->
{3835231} normal block at 0x000002987BA9C500, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x000002987BA9CFF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x000002987BA9CEA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835198} normal block at 0x0000029879D145E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835187} normal block at 0x0000029879D14B20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835156} normal block at 0x000002987BAE8FC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835145} normal block at 0x000002987BAFE890, 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) : {3835142} normal block at 0x0000029879D0F040, 8 bytes long.
 Data: <  "z    > 00 00 22 7A 98 02 00 00 
{3834540} normal block at 0x000002987BAFE100, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x0000029879D0EA00, 8 bytes long.
 Data: <p&#174;&#211;y    > 70 AE D3 79 98 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000029879D10570, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000029879CFEE50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000029879D15370, 16 bytes long.
 Data: < c&#209;y            > 88 63 D1 79 98 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000029879D15500, 16 bytes long.
 Data: <`c&#209;y            > 60 63 D1 79 98 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000029879D0F800, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000029879D15E60, 16 bytes long.
 Data: <8c&#209;y            > 38 63 D1 79 98 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000029879D15E10, 16 bytes long.
 Data: < c&#209;y            > 10 63 D1 79 98 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000029879D15DC0, 16 bytes long.
 Data: <&#232;b&#209;y            > E8 62 D1 79 98 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000029879D15640, 16 bytes long.
 Data: <&#192;b&#209;y            > C0 62 D1 79 98 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000029879D14730, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000029879D154B0, 16 bytes long.
 Data: <&#184;&#181;&#207;y            > B8 B5 CF 79 98 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000029879D0FC20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000029879D15780, 16 bytes long.
 Data: < &#181;&#207;y            > 90 B5 CF 79 98 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000029879D15D20, 16 bytes long.
 Data: <h&#181;&#207;y            > 68 B5 CF 79 98 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000029879D15870, 16 bytes long.
 Data: <@&#181;&#207;y            > 40 B5 CF 79 98 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000029879D15A50, 16 bytes long.
 Data: < &#181;&#207;y            > 18 B5 CF 79 98 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000029879D15CD0, 16 bytes long.
 Data: <&#240;&#180;&#207;y            > F0 B4 CF 79 98 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000029879D152D0, 16 bytes long.
 Data: <&#200;&#180;&#207;y            > C8 B4 CF 79 98 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000029879D0F680, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000029879D15AA0, 16 bytes long.
 Data: <&#160;&#180;&#207;y            > A0 B4 CF 79 98 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000029879CFB4A0, 320 bytes long.
 Data: <&#160;Z&#209;y     &#246;&#208;y    > A0 5A D1 79 98 02 00 00 80 F6 D0 79 98 02 00 00 
{275} normal block at 0x0000029879D15320, 16 bytes long.
 Data: <&#160;b&#209;y            > A0 62 D1 79 98 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000029879D151E0, 16 bytes long.
 Data: <xb&#209;y            > 78 62 D1 79 98 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000029879D103A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000029879D155F0, 16 bytes long.
 Data: <Pb&#209;y            > 50 62 D1 79 98 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000029879D0F920, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000029879D15820, 16 bytes long.
 Data: < a&#209;y            > 98 61 D1 79 98 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000029879D15D70, 16 bytes long.
 Data: <pa&#209;y            > 70 61 D1 79 98 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000029879D15A00, 16 bytes long.
 Data: <Ha&#209;y            > 48 61 D1 79 98 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000029879D150A0, 16 bytes long.
 Data: < a&#209;y            > 20 61 D1 79 98 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000029879D15960, 16 bytes long.
 Data: <&#248;`&#209;y            > F8 60 D1 79 98 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000029879D15140, 16 bytes long.
 Data: <&#208;`&#209;y            > D0 60 D1 79 98 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000029879D157D0, 16 bytes long.
 Data: < H&#209;y            > 10 48 D1 79 98 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000029879D14810, 40 bytes long.
 Data: <&#208;W&#209;y    &#192; &#174;{    > D0 57 D1 79 98 02 00 00 C0 8F AE 7B 98 02 00 00 
{261} normal block at 0x0000029879D15C80, 16 bytes long.
 Data: <&#176;`&#209;y            > B0 60 D1 79 98 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000029879D150F0, 16 bytes long.
 Data: < `&#209;y            > 88 60 D1 79 98 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000029879D0F5C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000029879D15280, 16 bytes long.
 Data: <``&#209;y            > 60 60 D1 79 98 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000029879D16060, 992 bytes long.
 Data: < R&#209;y    &#192;&#245;&#208;y    > 80 52 D1 79 98 02 00 00 C0 F5 D0 79 98 02 00 00 
{93} normal block at 0x0000029879D10280, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000029879D0E870, 16 bytes long.
 Data: <&#176;J&#209;y            > B0 4A D1 79 98 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000029879D14AB0, 40 bytes long.
 Data: <p&#232;&#208;y      &#209;y    > 70 E8 D0 79 98 02 00 00 80 02 D1 79 98 02 00 00 
{70} normal block at 0x0000029879D0EB90, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 03 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000029879D0EF50, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 03 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000029879D0EFF0, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000029879D0EC80, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000029879D0E960, 16 bytes long.
 Data: <P   &#246;           > 50 04 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000029879D0E780, 16 bytes long.
 Data: <0   &#246;           > 30 04 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000029879D0F2C0, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000029879D0F220, 16 bytes long.
 Data: <    &#246;           > 10 04 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000029879D0E640, 16 bytes long.
 Data: <p   &#246;           > 70 04 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000029879D0EC30, 16 bytes long.
 Data: < &#192;&#254; &#246;           > 18 C0 FE 11 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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