Task 38646601

Name test_704-GPUGRID_TEST_ATM_1000_20261023-0-1-RND6563_0
Workunit 31591541
Created 23 Oct 2026, 16:41:28 UTC
Sent 23 Oct 2026, 17:46:09 UTC
Report deadline 28 Oct 2026, 17:46:09 UTC
Received 24 Oct 2026, 13:09:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641223
Run time 19 min 58 sec
CPU time 17 min 36 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 40,554.03 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 716.98 MB
Peak swap size 6.95 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
10:49:22 (52536): wrapper (7.9.26016): starting
10:49:22 (52536): 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
10:49:24 (52536): Library/usr/bin/tar.exe exited; CPU time 0.093750
10:49:24 (52536): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3836174} normal block at 0x000001CB19900210, 8 bytes long.
 Data: <        > 00 00 E1 19 CB 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3833970} normal block at 0x000001CB199DE540, 1080 bytes long.
 Data: <                > DC 0D 00 00 CD CD CD CD 98 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001CB198F80E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
06:00:53 (54600): wrapper (7.9.26016): starting
06:00:53 (54600): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
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
06:09:09 (54600): C:/Windows/system32/cmd.exe exited; CPU time 420.109375
06:09:09 (54600): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 14506574 bytes.
Dumping objects ->
{3850945} normal block at 0x00000222057C66D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850934} normal block at 0x00000222057C6120, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850923} normal block at 0x00000222057C6970, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3850912} normal block at 0x0000022203A61590, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850901} normal block at 0x0000022203A61C90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3850870} normal block at 0x00000222057661D0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3850857} normal block at 0x0000022203A60000, 8 bytes long.
 Data: <    "   > 00 00 00 04 22 02 00 00 
{3848654} normal block at 0x0000022203A60190, 8 bytes long.
 Data: <P&#235;&#179; "   > 50 EB B3 03 22 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000022203A58620, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000022203A58FC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x0000022203A67740, 16 bytes long.
 Data: < &#131;&#166; "           > 98 83 A6 03 22 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000022203A67F10, 16 bytes long.
 Data: <p&#131;&#166; "           > 70 83 A6 03 22 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000022203A63400, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x0000022203A67EC0, 16 bytes long.
 Data: <H&#131;&#166; "           > 48 83 A6 03 22 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022203A67E70, 16 bytes long.
 Data: < &#131;&#166; "           > 20 83 A6 03 22 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022203A67880, 16 bytes long.
 Data: <&#248;&#130;&#166; "           > F8 82 A6 03 22 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022203A67F60, 16 bytes long.
 Data: <&#208;&#130;&#166; "           > D0 82 A6 03 22 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022203A618A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x0000022203A670B0, 16 bytes long.
 Data: <H&#197;&#164; "           > 48 C5 A4 03 22 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022203A63820, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x0000022203A67B50, 16 bytes long.
 Data: < &#197;&#164; "           > 20 C5 A4 03 22 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022203A67A60, 16 bytes long.
 Data: <&#248;&#196;&#164; "           > F8 C4 A4 03 22 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022203A676F0, 16 bytes long.
 Data: <&#208;&#196;&#164; "           > D0 C4 A4 03 22 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022203A67D80, 16 bytes long.
 Data: <&#168;&#196;&#164; "           > A8 C4 A4 03 22 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022203A676A0, 16 bytes long.
 Data: < &#196;&#164; "           > 80 C4 A4 03 22 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022203A67D30, 16 bytes long.
 Data: <X&#196;&#164; "           > 58 C4 A4 03 22 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022203A632E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x0000022203A67CE0, 16 bytes long.
 Data: <0&#196;&#164; "           > 30 C4 A4 03 22 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022203A4C430, 320 bytes long.
 Data: <&#224;|&#166; "   &#224;2&#166; "   > E0 7C A6 03 22 02 00 00 E0 32 A6 03 22 02 00 00 
{281} normal block at 0x0000022203A67A10, 16 bytes long.
 Data: <&#176;&#130;&#166; "           > B0 82 A6 03 22 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022203A67E20, 16 bytes long.
 Data: < &#130;&#166; "           > 88 82 A6 03 22 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022203A63A60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x0000022203A677E0, 16 bytes long.
 Data: <`&#130;&#166; "           > 60 82 A6 03 22 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022203A637C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x0000022203A67C90, 16 bytes long.
 Data: <&#168; &#166; "           > A8 81 A6 03 22 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022203A67C40, 16 bytes long.
 Data: <  &#166; "           > 80 81 A6 03 22 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022203A672E0, 16 bytes long.
 Data: <X &#166; "           > 58 81 A6 03 22 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022203A67BF0, 16 bytes long.
 Data: <0 &#166; "           > 30 81 A6 03 22 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022203A67420, 16 bytes long.
 Data: <  &#166; "           > 08 81 A6 03 22 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022203A671F0, 16 bytes long.
 Data: <&#224; &#166; "           > E0 80 A6 03 22 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022203A67790, 16 bytes long.
 Data: <&#224; &#166; "           > E0 16 A6 03 22 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022203A616E0, 40 bytes long.
 Data: < w&#166; "   &#208;av "   > 90 77 A6 03 22 02 00 00 D0 61 76 05 22 02 00 00 
{267} normal block at 0x0000022203A67650, 16 bytes long.
 Data: <&#192; &#166; "           > C0 80 A6 03 22 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022203A67B00, 16 bytes long.
 Data: <  &#166; "           > 98 80 A6 03 22 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022203A62DA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x0000022203A67600, 16 bytes long.
 Data: <p &#166; "           > 70 80 A6 03 22 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022203A68070, 992 bytes long.
 Data: < v&#166; "   &#160;-&#166; "   > 00 76 A6 03 22 02 00 00 A0 2D A6 03 22 02 00 00 
{99} normal block at 0x0000022203A62B60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x0000022203A602D0, 16 bytes long.
 Data: <` &#166; "           > 60 1A A6 03 22 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x0000022203A61A60, 40 bytes long.
 Data: <&#208; &#166; "   `+&#166; "   > D0 02 A6 03 22 02 00 00 60 2B A6 03 22 02 00 00 
{76} normal block at 0x0000022203A5FDD0, 16 bytes long.
 Data: < &#234; &#228;&#246;           > 80 EA 08 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000022203A603C0, 16 bytes long.
 Data: <@&#233; &#228;&#246;           > 40 E9 08 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000022203A60280, 16 bytes long.
 Data: <&#248;W &#228;&#246;           > F8 57 05 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000022203A600F0, 16 bytes long.
 Data: <&#216;W &#228;&#246;           > D8 57 05 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000022203A5FBA0, 16 bytes long.
 Data: <P  &#228;&#246;           > 50 04 05 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000022203A605A0, 16 bytes long.
 Data: <0  &#228;&#246;           > 30 04 05 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022203A5FAB0, 16 bytes long.
 Data: <&#224;  &#228;&#246;           > E0 02 05 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022203A604B0, 16 bytes long.
 Data: <   &#228;&#246;           > 10 04 05 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022203A5FC40, 16 bytes long.
 Data: <p  &#228;&#246;           > 70 04 05 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022203A5FF10, 16 bytes long.
 Data: < &#192; &#228;&#246;           > 18 C0 03 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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