Task 38696318

Name test_470-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND4702_1
Workunit 31636910
Created 31 Oct 2026, 22:07:05 UTC
Sent 31 Oct 2026, 22:07:09 UTC
Report deadline 5 Nov 2026, 22:07:09 UTC
Received 1 Nov 2026, 21:05:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632144
Run time 52 min 37 sec
CPU time 50 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,149.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 726.58 MB
Peak swap size 6.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:13:14 (55584): wrapper (7.9.26016): starting
12:13:14 (55584): 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
12:13:15 (55584): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:13:15 (55584): 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\2\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\2\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
13:05:01 (55584): C:/Windows/system32/cmd.exe exited; CPU time 3056.515625
13:05:01 (55584): 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: 94124879 bytes.
Dumping objects ->
{3835638} normal block at 0x00000204F96E28E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835627} normal block at 0x00000204F96E2020, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835616} normal block at 0x00000204F96E1F40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835605} normal block at 0x00000204F96E2BF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835594} normal block at 0x00000204F96E2DB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835563} normal block at 0x00000204F7B30D60, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835552} normal block at 0x00000204F97F1520, 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) : {3835549} normal block at 0x00000204F7AFC870, 8 bytes long.
 Data: <   &#248;    > 00 00 0A F8 04 02 00 00 
{3834742} normal block at 0x00000204F97F13C0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833987} normal block at 0x00000204F7AFC2D0, 8 bytes long.
 Data: <&#176;u&#131;&#249;    > B0 75 83 F9 04 02 00 00 
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x00000204F7B01360, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{310} normal block at 0x00000204F7AF8C20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{309} normal block at 0x00000204F7B08130, 16 bytes long.
 Data: <&#168;&#139;&#176;&#247;            > A8 8B B0 F7 04 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x00000204F7B078C0, 16 bytes long.
 Data: < &#139;&#176;&#247;            > 80 8B B0 F7 04 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x00000204F7B037B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{306} normal block at 0x00000204F7B07E10, 16 bytes long.
 Data: <X&#139;&#176;&#247;            > 58 8B B0 F7 04 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x00000204F7B079B0, 16 bytes long.
 Data: <0&#139;&#176;&#247;            > 30 8B B0 F7 04 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000204F7B084A0, 16 bytes long.
 Data: < &#139;&#176;&#247;            > 08 8B B0 F7 04 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000204F7B07BE0, 16 bytes long.
 Data: <&#224;&#138;&#176;&#247;            > E0 8A B0 F7 04 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000204F7B064D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{301} normal block at 0x00000204F7B07B90, 16 bytes long.
 Data: <8 &#175;&#247;            > 38 02 AF F7 04 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000204F7B03750, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{299} normal block at 0x00000204F7B07D70, 16 bytes long.
 Data: <  &#175;&#247;            > 10 02 AF F7 04 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000204F7B07FF0, 16 bytes long.
 Data: <&#232; &#175;&#247;            > E8 01 AF F7 04 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000204F7B07B40, 16 bytes long.
 Data: <&#192; &#175;&#247;            > C0 01 AF F7 04 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000204F7B07A00, 16 bytes long.
 Data: <  &#175;&#247;            > 98 01 AF F7 04 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000204F7B08630, 16 bytes long.
 Data: <p &#175;&#247;            > 70 01 AF F7 04 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000204F7B087C0, 16 bytes long.
 Data: <H &#175;&#247;            > 48 01 AF F7 04 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000204F7B03CF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{291} normal block at 0x00000204F7B083B0, 16 bytes long.
 Data: <  &#175;&#247;            > 20 01 AF F7 04 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000204F7AF0120, 320 bytes long.
 Data: <&#176;&#131;&#176;&#247;    &#240;<&#176;&#247;    > B0 83 B0 F7 04 02 00 00 F0 3C B0 F7 04 02 00 00 
{289} normal block at 0x00000204F7B08220, 16 bytes long.
 Data: <&#192;&#138;&#176;&#247;            > C0 8A B0 F7 04 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000204F7B08450, 16 bytes long.
 Data: < &#138;&#176;&#247;            > 98 8A B0 F7 04 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000204F7B03270, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{286} normal block at 0x00000204F7B07960, 16 bytes long.
 Data: <p&#138;&#176;&#247;            > 70 8A B0 F7 04 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000204F7B03630, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{284} normal block at 0x00000204F7B08360, 16 bytes long.
 Data: <&#184;&#137;&#176;&#247;            > B8 89 B0 F7 04 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000204F7B084F0, 16 bytes long.
 Data: < &#137;&#176;&#247;            > 90 89 B0 F7 04 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000204F7B07F50, 16 bytes long.
 Data: <h&#137;&#176;&#247;            > 68 89 B0 F7 04 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000204F7B081D0, 16 bytes long.
 Data: <@&#137;&#176;&#247;            > 40 89 B0 F7 04 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000204F7B08180, 16 bytes long.
 Data: < &#137;&#176;&#247;            > 18 89 B0 F7 04 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000204F7B08270, 16 bytes long.
 Data: <&#240; &#176;&#247;            > F0 88 B0 F7 04 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000204F7B07D20, 16 bytes long.
 Data: <`d&#176;&#247;            > 60 64 B0 F7 04 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000204F7B06460, 40 bytes long.
 Data: < }&#176;&#247;    ` &#179;&#247;    > 20 7D B0 F7 04 02 00 00 60 0D B3 F7 04 02 00 00 
{275} normal block at 0x00000204F7B08310, 16 bytes long.
 Data: <&#208; &#176;&#247;            > D0 88 B0 F7 04 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000204F7B07F00, 16 bytes long.
 Data: <&#168; &#176;&#247;            > A8 88 B0 F7 04 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000204F7B03C90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{272} normal block at 0x00000204F7B07DC0, 16 bytes long.
 Data: <  &#176;&#247;            > 80 88 B0 F7 04 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000204F7B08880, 992 bytes long.
 Data: <&#192;}&#176;&#247;     <&#176;&#247;    > C0 7D B0 F7 04 02 00 00 90 3C B0 F7 04 02 00 00 
{107} normal block at 0x00000204F7B03B10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{106} normal block at 0x00000204F7AFCD20, 16 bytes long.
 Data: < _&#176;&#247;            > 90 5F B0 F7 04 02 00 00 00 00 00 00 00 00 00 00 
{105} normal block at 0x00000204F7B05F90, 40 bytes long.
 Data: < &#205;&#175;&#247;     ;&#176;&#247;    > 20 CD AF F7 04 02 00 00 10 3B B0 F7 04 02 00 00 
{84} normal block at 0x00000204F7AFCA50, 16 bytes long.
 Data: < &#234;&#137;,&#246;           > 80 EA 89 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x00000204F7AFC0F0, 16 bytes long.
 Data: <@&#233;&#137;,&#246;           > 40 E9 89 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x00000204F7AFC410, 16 bytes long.
 Data: <&#248;W&#134;,&#246;           > F8 57 86 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x00000204F7AFC5A0, 16 bytes long.
 Data: <&#216;W&#134;,&#246;           > D8 57 86 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x00000204F7AFC140, 16 bytes long.
 Data: <P &#134;,&#246;           > 50 04 86 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x00000204F7AFC230, 16 bytes long.
 Data: <0 &#134;,&#246;           > 30 04 86 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x00000204F7AFC690, 16 bytes long.
 Data: <&#224; &#134;,&#246;           > E0 02 86 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x00000204F7AFC8C0, 16 bytes long.
 Data: <  &#134;,&#246;           > 10 04 86 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000204F7AFBF10, 16 bytes long.
 Data: <p &#134;,&#246;           > 70 04 86 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000204F7AFC1E0, 16 bytes long.
 Data: < &#192;&#132;,&#246;           > 18 C0 84 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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