Task 38677454

Name test_334-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND7879_0
Workunit 31619325
Created 26 Oct 2026, 14:23:34 UTC
Sent 26 Oct 2026, 14:23:36 UTC
Report deadline 31 Oct 2026, 14:23:36 UTC
Received 26 Oct 2026, 14:52:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651274
Run time 26 min 59 sec
CPU time 24 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,502.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.59 MB
Peak swap size 6.92 GB
Peak disk usage 3.91 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:25:58 (116516): wrapper (7.9.26016): starting
09:25:58 (116516): 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
09:25:59 (116516): Library/usr/bin/tar.exe exited; CPU time 0.031250
09:25:59 (116516): 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\19\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\19\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
09:51:46 (116516): C:/Windows/system32/cmd.exe exited; CPU time 1490.968750
09:51:46 (116516): 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: 27753103 bytes.
Dumping objects ->
{3835249} normal block at 0x00000289BA1FD8B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835238} normal block at 0x00000289B8524970, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x00000289B8524900, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835216} normal block at 0x00000289B8524820, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x00000289B8524CF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835174} normal block at 0x00000289BA249E70, 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) : {3835161} normal block at 0x00000289B8520F90, 8 bytes long.
 Data: <   &#184;&#137;   > 00 00 99 B8 89 02 00 00 
{3833955} normal block at 0x00000289B8520D10, 8 bytes long.
 Data: <`&#235;_&#184;&#137;   > 60 EB 5F B8 89 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000289B8516700, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000289B8517C60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x00000289B8526680, 16 bytes long.
 Data: < VR&#184;&#137;           > 88 56 52 B8 89 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000289B85260E0, 16 bytes long.
 Data: <`VR&#184;&#137;           > 60 56 52 B8 89 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000289B851F720, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x00000289B85264F0, 16 bytes long.
 Data: <8VR&#184;&#137;           > 38 56 52 B8 89 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000289B8525E10, 16 bytes long.
 Data: < VR&#184;&#137;           > 10 56 52 B8 89 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000289B8526400, 16 bytes long.
 Data: <&#232;UR&#184;&#137;           > E8 55 52 B8 89 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000289B85259B0, 16 bytes long.
 Data: <&#192;UR&#184;&#137;           > C0 55 52 B8 89 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000289B8524C80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x00000289B8525F00, 16 bytes long.
 Data: <&#184;&#159;Q&#184;&#137;           > B8 9F 51 B8 89 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000289B8520500, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x00000289B8525910, 16 bytes long.
 Data: < &#159;Q&#184;&#137;           > 90 9F 51 B8 89 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000289B8525B90, 16 bytes long.
 Data: <h&#159;Q&#184;&#137;           > 68 9F 51 B8 89 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000289B8525FF0, 16 bytes long.
 Data: <@&#159;Q&#184;&#137;           > 40 9F 51 B8 89 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000289B8525E60, 16 bytes long.
 Data: < &#159;Q&#184;&#137;           > 18 9F 51 B8 89 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000289B8525960, 16 bytes long.
 Data: <&#240;&#158;Q&#184;&#137;           > F0 9E 51 B8 89 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000289B8525870, 16 bytes long.
 Data: <&#200;&#158;Q&#184;&#137;           > C8 9E 51 B8 89 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000289B851F840, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x00000289B8525D70, 16 bytes long.
 Data: <&#160;&#158;Q&#184;&#137;           > A0 9E 51 B8 89 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000289B8519EA0, 320 bytes long.
 Data: <p]R&#184;&#137;   @&#248;Q&#184;&#137;   > 70 5D 52 B8 89 02 00 00 40 F8 51 B8 89 02 00 00 
{273} normal block at 0x00000289B85264A0, 16 bytes long.
 Data: <&#160;UR&#184;&#137;           > A0 55 52 B8 89 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000289B85265E0, 16 bytes long.
 Data: <xUR&#184;&#137;           > 78 55 52 B8 89 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000289B851FBA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x00000289B8525D20, 16 bytes long.
 Data: <PUR&#184;&#137;           > 50 55 52 B8 89 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000289B851F7E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x00000289B8526590, 16 bytes long.
 Data: < TR&#184;&#137;           > 98 54 52 B8 89 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000289B8526540, 16 bytes long.
 Data: <pTR&#184;&#137;           > 70 54 52 B8 89 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000289B8526720, 16 bytes long.
 Data: <HTR&#184;&#137;           > 48 54 52 B8 89 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000289B85258C0, 16 bytes long.
 Data: < TR&#184;&#137;           > 20 54 52 B8 89 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000289B8520FE0, 16 bytes long.
 Data: <&#248;SR&#184;&#137;           > F8 53 52 B8 89 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000289B8520EA0, 16 bytes long.
 Data: <&#208;SR&#184;&#137;           > D0 53 52 B8 89 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000289B8520860, 16 bytes long.
 Data: <&#192;JR&#184;&#137;           > C0 4A 52 B8 89 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000289B8524AC0, 40 bytes long.
 Data: <` R&#184;&#137;   p&#158;$&#186;&#137;   > 60 08 52 B8 89 02 00 00 70 9E 24 BA 89 02 00 00 
{259} normal block at 0x00000289B8520A90, 16 bytes long.
 Data: <&#176;SR&#184;&#137;           > B0 53 52 B8 89 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000289B8521530, 16 bytes long.
 Data: < SR&#184;&#137;           > 88 53 52 B8 89 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000289B8520140, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x00000289B8520E50, 16 bytes long.
 Data: <`SR&#184;&#137;           > 60 53 52 B8 89 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000289B8525360, 992 bytes long.
 Data: <P R&#184;&#137;   @ R&#184;&#137;   > 50 0E 52 B8 89 02 00 00 40 01 52 B8 89 02 00 00 
{91} normal block at 0x00000289B8520320, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x00000289B8521580, 16 bytes long.
 Data: <P&#231;P&#184;&#137;           > 50 E7 50 B8 89 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000289B850E750, 40 bytes long.
 Data: <  R&#184;&#137;     R&#184;&#137;   > 80 15 52 B8 89 02 00 00 20 03 52 B8 89 02 00 00 
{68} normal block at 0x00000289B8521620, 16 bytes long.
 Data: < &#234;pw&#247;           > 80 EA 70 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000289B8520AE0, 16 bytes long.
 Data: <@&#233;pw&#247;           > 40 E9 70 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000289B8521120, 16 bytes long.
 Data: <&#248;Wmw&#247;           > F8 57 6D 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000289B8520950, 16 bytes long.
 Data: <&#216;Wmw&#247;           > D8 57 6D 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000289B85206D0, 16 bytes long.
 Data: <P mw&#247;           > 50 04 6D 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000289B8520CC0, 16 bytes long.
 Data: <0 mw&#247;           > 30 04 6D 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000289B85215D0, 16 bytes long.
 Data: <&#224; mw&#247;           > E0 02 6D 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000289B8521350, 16 bytes long.
 Data: <  mw&#247;           > 10 04 6D 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000289B8520C20, 16 bytes long.
 Data: <p mw&#247;           > 70 04 6D 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000289B8520E00, 16 bytes long.
 Data: < &#192;kw&#247;           > 18 C0 6B 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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