Task 38662542

Name test_934-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND8174_0
Workunit 31605792
Created 24 Oct 2026, 19:36:53 UTC
Sent 24 Oct 2026, 19:37:07 UTC
Report deadline 29 Oct 2026, 19:37:07 UTC
Received 24 Oct 2026, 23:17:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653812
Run time 34 min 48 sec
CPU time 34 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,195.29 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 771.31 MB
Peak swap size 8.43 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
23:41:30 (18548): wrapper (7.9.26016): starting
23:41:30 (18548): 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
23:41:31 (18548): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:41:31 (18548): 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\24\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\24\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
00:16:56 (18548): C:/Windows/system32/cmd.exe exited; CPU time 2061.343750
00:16:56 (18548): 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: 41273475 bytes.
Dumping objects ->
{3835519} normal block at 0x000001346757A780, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835508} normal block at 0x0000013465695680, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835497} normal block at 0x0000013465695450, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835486} normal block at 0x0000013465695610, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x00000134656954C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835444} normal block at 0x000001346756A5F0, 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) : {3835431} normal block at 0x000001346568B060, 8 bytes long.
 Data: <  &#190;e4   > 00 00 BE 65 34 01 00 00 
{3833969} normal block at 0x000001346568AB60, 8 bytes long.
 Data: <&#160;A\g4   > A0 41 5C 67 34 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000134656925B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000013465686130, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000013465696090, 16 bytes long.
 Data: < mie4           > 88 6D 69 65 34 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000013465696900, 16 bytes long.
 Data: <`mie4           > 60 6D 69 65 34 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001346568E810, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000013465696130, 16 bytes long.
 Data: <8mie4           > 38 6D 69 65 34 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000013465696040, 16 bytes long.
 Data: < mie4           > 10 6D 69 65 34 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000013465695FF0, 16 bytes long.
 Data: <&#232;lie4           > E8 6C 69 65 34 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000013465695AA0, 16 bytes long.
 Data: <&#192;lie4           > C0 6C 69 65 34 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000134656956F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000013465695C30, 16 bytes long.
 Data: <&#168;&#150;he4           > A8 96 68 65 34 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001346568EB10, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000013465695FA0, 16 bytes long.
 Data: < &#150;he4           > 80 96 68 65 34 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000013465695BE0, 16 bytes long.
 Data: <X&#150;he4           > 58 96 68 65 34 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000134656966D0, 16 bytes long.
 Data: <0&#150;he4           > 30 96 68 65 34 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000134656964A0, 16 bytes long.
 Data: < &#150;he4           > 08 96 68 65 34 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000013465696630, 16 bytes long.
 Data: <&#224;&#149;he4           > E0 95 68 65 34 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000134656968B0, 16 bytes long.
 Data: <&#184;&#149;he4           > B8 95 68 65 34 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001346568EF30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000013465695EB0, 16 bytes long.
 Data: < &#149;he4           > 90 95 68 65 34 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000013465689590, 320 bytes long.
 Data: <&#176;^ie4   0&#239;he4   > B0 5E 69 65 34 01 00 00 30 EF 68 65 34 01 00 00 
{280} normal block at 0x0000013465696400, 16 bytes long.
 Data: <&#160;lie4           > A0 6C 69 65 34 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000134656967C0, 16 bytes long.
 Data: <xlie4           > 78 6C 69 65 34 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001346568EAB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000013465695AF0, 16 bytes long.
 Data: <Plie4           > 50 6C 69 65 34 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001346568EFF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000013465696310, 16 bytes long.
 Data: < kie4           > 98 6B 69 65 34 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000134656962C0, 16 bytes long.
 Data: <pkie4           > 70 6B 69 65 34 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000013465696860, 16 bytes long.
 Data: <Hkie4           > 48 6B 69 65 34 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000013465696540, 16 bytes long.
 Data: < kie4           > 20 6B 69 65 34 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000013465695F50, 16 bytes long.
 Data: <&#248;jie4           > F8 6A 69 65 34 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000013465695E60, 16 bytes long.
 Data: <&#208;jie4           > D0 6A 69 65 34 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000013465696680, 16 bytes long.
 Data: < Yie4           > 90 59 69 65 34 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000013465695990, 40 bytes long.
 Data: < fie4   &#240;&#165;Vg4   > 80 66 69 65 34 01 00 00 F0 A5 56 67 34 01 00 00 
{266} normal block at 0x00000134656963B0, 16 bytes long.
 Data: <&#176;jie4           > B0 6A 69 65 34 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000013465695D20, 16 bytes long.
 Data: < jie4           > 88 6A 69 65 34 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001346568E990, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x00000134656964F0, 16 bytes long.
 Data: <`jie4           > 60 6A 69 65 34 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000013465696A60, 992 bytes long.
 Data: <&#240;die4    &#233;he4   > F0 64 69 65 34 01 00 00 90 E9 68 65 34 01 00 00 
{98} normal block at 0x000001346568F710, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000001346568B380, 16 bytes long.
 Data: <p&#216;ge4           > 70 D8 67 65 34 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000001346567D870, 40 bytes long.
 Data: < &#179;he4    &#247;he4   > 80 B3 68 65 34 01 00 00 10 F7 68 65 34 01 00 00 
{75} normal block at 0x000001346568A930, 16 bytes long.
 Data: < &#234;5W&#246;           > 80 EA 35 57 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001346568B4C0, 16 bytes long.
 Data: <@&#233;5W&#246;           > 40 E9 35 57 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001346568B560, 16 bytes long.
 Data: <&#248;W2W&#246;           > F8 57 32 57 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001346568AFC0, 16 bytes long.
 Data: <&#216;W2W&#246;           > D8 57 32 57 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001346568B650, 16 bytes long.
 Data: <P 2W&#246;           > 50 04 32 57 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001346568AD90, 16 bytes long.
 Data: <0 2W&#246;           > 30 04 32 57 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001346568AC50, 16 bytes long.
 Data: <&#224; 2W&#246;           > E0 02 32 57 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001346568AB10, 16 bytes long.
 Data: <  2W&#246;           > 10 04 32 57 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001346568B420, 16 bytes long.
 Data: <p 2W&#246;           > 70 04 32 57 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001346568ABB0, 16 bytes long.
 Data: < &#192;0W&#246;           > 18 C0 30 57 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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