Task 38667998

Name test_192-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND2094_0
Workunit 31610566
Created 25 Oct 2026, 10:14:52 UTC
Sent 25 Oct 2026, 10:15:00 UTC
Report deadline 30 Oct 2026, 10:15:00 UTC
Received 25 Oct 2026, 11:48:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550955
Run time 28 min 14 sec
CPU time 25 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,243.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.56 MB
Peak swap size 9.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:20:27 (9888): wrapper (7.9.26016): starting
12:20:27 (9888): 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
12:20:28 (9888): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:20:28 (9888): 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.
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
12:47:49 (9888): C:/Windows/system32/cmd.exe exited; CPU time 1557.890625
12:47:49 (9888): 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: 20858863 bytes.
Dumping objects ->
{3835234} normal block at 0x000002EC367ADFF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x000002EC367AD260, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000002EC367AE140, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x000002EC367AD490, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x000002EC34A74890, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x000002EC367F6A80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x000002EC3680EE10, 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) : {3835145} normal block at 0x000002EC34A6EDE0, 8 bytes long.
 Data: <   5&#236;   > 00 00 0D 35 EC 02 00 00 
{3834542} normal block at 0x000002EC3680ED60, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000002EC34A6F6A0, 8 bytes long.
 Data: < N&#133;6&#236;   > 00 4E 85 36 EC 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002EC34A70B80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002EC34A5F8E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000002EC34A75CA0, 16 bytes long.
 Data: < g&#167;4&#236;           > 18 67 A7 34 EC 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002EC34A76010, 16 bytes long.
 Data: <&#240;f&#167;4&#236;           > F0 66 A7 34 EC 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002EC34A702B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000002EC34A75F70, 16 bytes long.
 Data: <&#200;f&#167;4&#236;           > C8 66 A7 34 EC 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002EC34A75AC0, 16 bytes long.
 Data: <&#160;f&#167;4&#236;           > A0 66 A7 34 EC 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002EC34A761A0, 16 bytes long.
 Data: <xf&#167;4&#236;           > 78 66 A7 34 EC 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002EC34A75840, 16 bytes long.
 Data: <Pf&#167;4&#236;           > 50 66 A7 34 EC 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002EC34A74970, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000002EC34A75C00, 16 bytes long.
 Data: <h &#166;4&#236;           > 68 8F A6 34 EC 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002EC34A6FEF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000002EC34A75E80, 16 bytes long.
 Data: <@ &#166;4&#236;           > 40 8F A6 34 EC 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002EC34A75BB0, 16 bytes long.
 Data: <  &#166;4&#236;           > 18 8F A6 34 EC 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002EC34A76150, 16 bytes long.
 Data: <&#240;&#142;&#166;4&#236;           > F0 8E A6 34 EC 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002EC34A75480, 16 bytes long.
 Data: <&#200;&#142;&#166;4&#236;           > C8 8E A6 34 EC 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002EC34A75750, 16 bytes long.
 Data: <&#160;&#142;&#166;4&#236;           > A0 8E A6 34 EC 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002EC34A75700, 16 bytes long.
 Data: <x&#142;&#166;4&#236;           > 78 8E A6 34 EC 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002EC34A70130, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000002EC34A75D90, 16 bytes long.
 Data: <P&#142;&#166;4&#236;           > 50 8E A6 34 EC 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002EC34A68E50, 320 bytes long.
 Data: < ]&#167;4&#236;   0 &#167;4&#236;   > 90 5D A7 34 EC 02 00 00 30 01 A7 34 EC 02 00 00 
{276} normal block at 0x000002EC34A75A70, 16 bytes long.
 Data: <0f&#167;4&#236;           > 30 66 A7 34 EC 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002EC34A75980, 16 bytes long.
 Data: < f&#167;4&#236;           > 08 66 A7 34 EC 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002EC34A70610, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000002EC34A75B10, 16 bytes long.
 Data: <&#224;e&#167;4&#236;           > E0 65 A7 34 EC 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002EC34A70310, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000002EC34A754D0, 16 bytes long.
 Data: <(e&#167;4&#236;           > 28 65 A7 34 EC 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002EC34A759D0, 16 bytes long.
 Data: < e&#167;4&#236;           > 00 65 A7 34 EC 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002EC34A76290, 16 bytes long.
 Data: <&#216;d&#167;4&#236;           > D8 64 A7 34 EC 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002EC34A75B60, 16 bytes long.
 Data: <&#176;d&#167;4&#236;           > B0 64 A7 34 EC 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002EC34A75FC0, 16 bytes long.
 Data: < d&#167;4&#236;           > 88 64 A7 34 EC 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002EC34A75E30, 16 bytes long.
 Data: <`d&#167;4&#236;           > 60 64 A7 34 EC 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002EC34A75930, 16 bytes long.
 Data: <&#176;N&#167;4&#236;           > B0 4E A7 34 EC 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002EC34A74EB0, 40 bytes long.
 Data: <0Y&#167;4&#236;    j 6&#236;   > 30 59 A7 34 EC 02 00 00 80 6A 7F 36 EC 02 00 00 
{262} normal block at 0x000002EC34A757F0, 16 bytes long.
 Data: <@d&#167;4&#236;           > 40 64 A7 34 EC 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002EC34A757A0, 16 bytes long.
 Data: < d&#167;4&#236;           > 18 64 A7 34 EC 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002EC34A70010, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000002EC34A75A20, 16 bytes long.
 Data: <&#240;c&#167;4&#236;           > F0 63 A7 34 EC 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002EC34A763F0, 992 bytes long.
 Data: < Z&#167;4&#236;     &#167;4&#236;   > 20 5A A7 34 EC 02 00 00 10 00 A7 34 EC 02 00 00 
{94} normal block at 0x000002EC34A6FDD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000002EC34A6F600, 16 bytes long.
 Data: <0K&#167;4&#236;           > 30 4B A7 34 EC 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002EC34A74B30, 40 bytes long.
 Data: < &#246;&#166;4&#236;   &#208;&#253;&#166;4&#236;   > 00 F6 A6 34 EC 02 00 00 D0 FD A6 34 EC 02 00 00 
{71} normal block at 0x000002EC34A6F4C0, 16 bytes long.
 Data: < &#234;9T&#246;           > 80 EA 39 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002EC34A6F2E0, 16 bytes long.
 Data: <@&#233;9T&#246;           > 40 E9 39 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002EC34A6EF70, 16 bytes long.
 Data: <&#248;W6T&#246;           > F8 57 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002EC34A6EA70, 16 bytes long.
 Data: <&#216;W6T&#246;           > D8 57 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002EC34A6F650, 16 bytes long.
 Data: <P 6T&#246;           > 50 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002EC34A6ED90, 16 bytes long.
 Data: <0 6T&#246;           > 30 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002EC34A6F420, 16 bytes long.
 Data: <&#224; 6T&#246;           > E0 02 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002EC34A6F470, 16 bytes long.
 Data: <  6T&#246;           > 10 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002EC34A6F7E0, 16 bytes long.
 Data: <p 6T&#246;           > 70 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002EC34A6E930, 16 bytes long.
 Data: < &#192;4T&#246;           > 18 C0 34 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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