Task 38683863

Name test_892-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND4337_0
Workunit 31625402
Created 27 Oct 2026, 13:39:52 UTC
Sent 27 Oct 2026, 13:39:58 UTC
Report deadline 1 Nov 2026, 13:39:58 UTC
Received 27 Oct 2026, 15:30:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 601046
Run time 28 min 8 sec
CPU time 24 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 706.70 MB
Peak swap size 8.50 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:02:24 (25696): wrapper (7.9.26016): starting
11:02:24 (25696): 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
11:02:25 (25696): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:02:25 (25696): 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\12\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\12\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
11:29:02 (25696): C:/Windows/system32/cmd.exe exited; CPU time 1481.078125
11:29:02 (25696): called boinc_finish(0)
0 bytes in 0 Free Blocks.
462 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: 30985175 bytes.
Dumping objects ->
{3835236} normal block at 0x0000020F75A44A80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x0000020F75A449A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x0000020F75A44CB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835203} normal block at 0x0000020F75A44B60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x0000020F75A44A10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835161} normal block at 0x0000020F777F78C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x0000020F7780EF30, 103 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) : {3835147} normal block at 0x0000020F75A3F110, 8 bytes long.
 Data: <  mw    > 00 00 6D 77 0F 02 00 00 
{3834543} normal block at 0x0000020F7780ED20, 103 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 0x0000020F75A3ED00, 8 bytes long.
 Data: < R w    > 90 52 88 77 0F 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000020F75A41680, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020F75A2F220, 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 0x0000020F75A46200, 16 bytes long.
 Data: <&#216;f&#164;u            > D8 66 A4 75 0F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020F75A45990, 16 bytes long.
 Data: <&#176;f&#164;u            > B0 66 A4 75 0F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020F75A403F0, 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 0x0000020F75A456C0, 16 bytes long.
 Data: < f&#164;u            > 88 66 A4 75 0F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020F75A457B0, 16 bytes long.
 Data: <`f&#164;u            > 60 66 A4 75 0F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020F75A46070, 16 bytes long.
 Data: <8f&#164;u            > 38 66 A4 75 0F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020F75A45DF0, 16 bytes long.
 Data: < f&#164;u            > 10 66 A4 75 0F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020F75A447E0, 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 0x0000020F75A45B70, 16 bytes long.
 Data: <  &#163;u            > 08 8F A3 75 0F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020F75A402D0, 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 0x0000020F75A461B0, 16 bytes long.
 Data: <&#224;&#142;&#163;u            > E0 8E A3 75 0F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020F75A46110, 16 bytes long.
 Data: <&#184;&#142;&#163;u            > B8 8E A3 75 0F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020F75A45BC0, 16 bytes long.
 Data: < &#142;&#163;u            > 90 8E A3 75 0F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020F75A45530, 16 bytes long.
 Data: <h&#142;&#163;u            > 68 8E A3 75 0F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020F75A46160, 16 bytes long.
 Data: <@&#142;&#163;u            > 40 8E A3 75 0F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020F75A45D00, 16 bytes long.
 Data: < &#142;&#163;u            > 18 8E A3 75 0F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020F75A407B0, 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 0x0000020F75A45AD0, 16 bytes long.
 Data: <&#240; &#163;u            > F0 8D A3 75 0F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020F75A38DF0, 320 bytes long.
 Data: <&#208;Z&#164;u    &#176; &#164;u    > D0 5A A4 75 0F 02 00 00 B0 07 A4 75 0F 02 00 00 
{275} normal block at 0x0000020F75A45760, 16 bytes long.
 Data: <&#240;e&#164;u            > F0 65 A4 75 0F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020F75A46250, 16 bytes long.
 Data: <&#200;e&#164;u            > C8 65 A4 75 0F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020F75A40750, 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 0x0000020F75A460C0, 16 bytes long.
 Data: <&#160;e&#164;u            > A0 65 A4 75 0F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020F75A406F0, 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 0x0000020F75A458F0, 16 bytes long.
 Data: <&#232;d&#164;u            > E8 64 A4 75 0F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020F75A455D0, 16 bytes long.
 Data: <&#192;d&#164;u            > C0 64 A4 75 0F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020F75A45F80, 16 bytes long.
 Data: < d&#164;u            > 98 64 A4 75 0F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020F75A45490, 16 bytes long.
 Data: <pd&#164;u            > 70 64 A4 75 0F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020F75A46020, 16 bytes long.
 Data: <Hd&#164;u            > 48 64 A4 75 0F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020F75A45F30, 16 bytes long.
 Data: < d&#164;u            > 20 64 A4 75 0F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020F75A462F0, 16 bytes long.
 Data: <@L&#164;u            > 40 4C A4 75 0F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020F75A44C40, 40 bytes long.
 Data: <&#240;b&#164;u    &#192;x w    > F0 62 A4 75 0F 02 00 00 C0 78 7F 77 0F 02 00 00 
{261} normal block at 0x0000020F75A459E0, 16 bytes long.
 Data: < d&#164;u            > 00 64 A4 75 0F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020F75A45DA0, 16 bytes long.
 Data: <&#216;c&#164;u            > D8 63 A4 75 0F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020F75A400F0, 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 0x0000020F75A45670, 16 bytes long.
 Data: <&#176;c&#164;u            > B0 63 A4 75 0F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020F75A463B0, 992 bytes long.
 Data: <pV&#164;u    &#240; &#164;u    > 70 56 A4 75 0F 02 00 00 F0 00 A4 75 0F 02 00 00 
{93} normal block at 0x0000020F75A40270, 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 0x0000020F75A3F070, 16 bytes long.
 Data: < &#226;&#162;u            > 20 E2 A2 75 0F 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000020F75A2E220, 40 bytes long.
 Data: <p&#240;&#163;u    p &#164;u    > 70 F0 A3 75 0F 02 00 00 70 02 A4 75 0F 02 00 00 
{70} normal block at 0x0000020F75A3F390, 16 bytes long.
 Data: < &#234;&#132; &#247;           > 80 EA 84 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020F75A3EBC0, 16 bytes long.
 Data: <@&#233;&#132; &#247;           > 40 E9 84 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020F75A3F520, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020F75A3F480, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020F75A3F570, 16 bytes long.
 Data: <P   &#247;           > 50 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020F75A3EA80, 16 bytes long.
 Data: <0   &#247;           > 30 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020F75A3F340, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020F75A3E9E0, 16 bytes long.
 Data: <    &#247;           > 10 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020F75A3EE90, 16 bytes long.
 Data: <p   &#247;           > 70 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020F75A3F0C0, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 7F 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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