Task 38672937

Name test_123-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND1547_0
Workunit 31615049
Created 26 Oct 2026, 0:56:42 UTC
Sent 26 Oct 2026, 0:56:42 UTC
Report deadline 31 Oct 2026, 0:56:42 UTC
Received 26 Oct 2026, 1:16:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651810
Run time 17 min 43 sec
CPU time 17 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 753.96 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:58:39 (17640): wrapper (7.9.26016): starting
01:58:39 (17640): 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
01:58:40 (17640): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:58:40 (17640): 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\1\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\1\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
02:15:43 (17640): C:/Windows/system32/cmd.exe exited; CPU time 1025.671875
02:15:43 (17640): 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: 15840587 bytes.
Dumping objects ->
{3835247} normal block at 0x0000027CC4CF56B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x0000027CC4CF5640, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x0000027CC4CF5B10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835214} normal block at 0x0000027CC4CF5AA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x0000027CC4CF55D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835172} normal block at 0x0000027CC6A14CA0, 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) : {3835159} normal block at 0x0000027CC4CEDA50, 8 bytes long.
 Data: <  &#200;&#196;|   > 00 00 C8 C4 7C 02 00 00 
{3833965} normal block at 0x0000027CC4CEE310, 8 bytes long.
 Data: <&#192;Z&#170;&#198;|   > C0 5A AA C6 7C 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000027CC4CF28B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000027CC4CE6A10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000027CC4CF68E0, 16 bytes long.
 Data: < s&#207;&#196;|           > 08 73 CF C4 7C 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000027CC4CF6F20, 16 bytes long.
 Data: <&#224;r&#207;&#196;|           > E0 72 CF C4 7C 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000027CC4CF09E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000027CC4CF6BB0, 16 bytes long.
 Data: <&#184;r&#207;&#196;|           > B8 72 CF C4 7C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000027CC4CF6CF0, 16 bytes long.
 Data: < r&#207;&#196;|           > 90 72 CF C4 7C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000027CC4CF64D0, 16 bytes long.
 Data: <hr&#207;&#196;|           > 68 72 CF C4 7C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000027CC4CF6840, 16 bytes long.
 Data: <@r&#207;&#196;|           > 40 72 CF C4 7C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027CC4CF5790, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000027CC4CF6B60, 16 bytes long.
 Data: <  &#205;&#196;|           > 18 BD CD C4 7C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027CC4CF05C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000027CC4CF67F0, 16 bytes long.
 Data: <&#240;&#188;&#205;&#196;|           > F0 BC CD C4 7C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000027CC4CF6ED0, 16 bytes long.
 Data: <&#200;&#188;&#205;&#196;|           > C8 BC CD C4 7C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027CC4CF6AC0, 16 bytes long.
 Data: <&#160;&#188;&#205;&#196;|           > A0 BC CD C4 7C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027CC4CF6750, 16 bytes long.
 Data: <x&#188;&#205;&#196;|           > 78 BC CD C4 7C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027CC4CF6020, 16 bytes long.
 Data: <P&#188;&#205;&#196;|           > 50 BC CD C4 7C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027CC4CF6610, 16 bytes long.
 Data: <(&#188;&#205;&#196;|           > 28 BC CD C4 7C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027CC4CF0440, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000027CC4CF6480, 16 bytes long.
 Data: < &#188;&#205;&#196;|           > 00 BC CD C4 7C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027CC4CDBC00, 320 bytes long.
 Data: < d&#207;&#196;|   @ &#207;&#196;|   > 80 64 CF C4 7C 02 00 00 40 04 CF C4 7C 02 00 00 
{278} normal block at 0x0000027CC4CF6D90, 16 bytes long.
 Data: < r&#207;&#196;|           > 20 72 CF C4 7C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027CC4CF6890, 16 bytes long.
 Data: <&#248;q&#207;&#196;|           > F8 71 CF C4 7C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027CC4CF0980, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000027CC4CF63E0, 16 bytes long.
 Data: <&#208;q&#207;&#196;|           > D0 71 CF C4 7C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027CC4CF0B60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000027CC4CF62F0, 16 bytes long.
 Data: < q&#207;&#196;|           > 18 71 CF C4 7C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000027CC4CF6390, 16 bytes long.
 Data: <&#240;p&#207;&#196;|           > F0 70 CF C4 7C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000027CC4CF6070, 16 bytes long.
 Data: <&#200;p&#207;&#196;|           > C8 70 CF C4 7C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027CC4CF6C50, 16 bytes long.
 Data: <&#160;p&#207;&#196;|           > A0 70 CF C4 7C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027CC4CF6E30, 16 bytes long.
 Data: <xp&#207;&#196;|           > 78 70 CF C4 7C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027CC4CF6E80, 16 bytes long.
 Data: <Pp&#207;&#196;|           > 50 70 CF C4 7C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027CC4CF65C0, 16 bytes long.
 Data: < X&#207;&#196;|           > 00 58 CF C4 7C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027CC4CF5800, 40 bytes long.
 Data: <&#192;e&#207;&#196;|   &#160;L &#198;|   > C0 65 CF C4 7C 02 00 00 A0 4C A1 C6 7C 02 00 00 
{264} normal block at 0x0000027CC4CF6430, 16 bytes long.
 Data: <0p&#207;&#196;|           > 30 70 CF C4 7C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027CC4CF6DE0, 16 bytes long.
 Data: < p&#207;&#196;|           > 08 70 CF C4 7C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027CC4CF0260, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000027CC4CF6520, 16 bytes long.
 Data: <&#224;o&#207;&#196;|           > E0 6F CF C4 7C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000027CC4CF6FE0, 992 bytes long.
 Data: < e&#207;&#196;|   ` &#207;&#196;|   > 20 65 CF C4 7C 02 00 00 60 02 CF C4 7C 02 00 00 
{96} normal block at 0x0000027CC4CEFD20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000027CC4CEE0E0, 16 bytes long.
 Data: < &#250;&#205;&#196;|           > 90 FA CD C4 7C 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000027CC4CDFA90, 40 bytes long.
 Data: <&#224;&#224;&#206;&#196;|    &#253;&#206;&#196;|   > E0 E0 CE C4 7C 02 00 00 20 FD CE C4 7C 02 00 00 
{73} normal block at 0x0000027CC4CEDC30, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA FF 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000027CC4CEE270, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 FF 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000027CC4CEE8B0, 16 bytes long.
 Data: <&#248;W&#252; &#246;           > F8 57 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000027CC4CEE6D0, 16 bytes long.
 Data: <&#216;W&#252; &#246;           > D8 57 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000027CC4CEE590, 16 bytes long.
 Data: <P &#252; &#246;           > 50 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000027CC4CEE680, 16 bytes long.
 Data: <0 &#252; &#246;           > 30 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000027CC4CEDE10, 16 bytes long.
 Data: <&#224; &#252; &#246;           > E0 02 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000027CC4CEE180, 16 bytes long.
 Data: <  &#252; &#246;           > 10 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000027CC4CEE1D0, 16 bytes long.
 Data: <p &#252; &#246;           > 70 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027CC4CEE4F0, 16 bytes long.
 Data: < &#192;&#250; &#246;           > 18 C0 FA 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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