Task 38674885

Name test_477-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND8646_0
Workunit 31616889
Created 26 Oct 2026, 6:35:45 UTC
Sent 26 Oct 2026, 6:35:47 UTC
Report deadline 31 Oct 2026, 6:35:47 UTC
Received 26 Oct 2026, 8:37:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632067
Run time 1 hours 48 min 10 sec
CPU time 1 hours 43 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,333.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 746.14 MB
Peak swap size 8.39 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
01:51:15 (23724): wrapper (7.9.26016): starting
01:51:15 (23724): 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
01:51:16 (23724): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:51:16 (23724): 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
03:36:26 (23724): C:/Windows/system32/cmd.exe exited; CPU time 6236.125000
03:36:26 (23724): 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: 106485899 bytes.
Dumping objects ->
{3835438} normal block at 0x0000018E8DF3AAE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835427} normal block at 0x0000018E8DF156A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835416} normal block at 0x0000018E8DF15390, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835405} normal block at 0x0000018E8DF15320, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835394} normal block at 0x0000018E8DF15240, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835363} normal block at 0x0000018E8FCFD0C0, 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) : {3835350} normal block at 0x0000018E8DF110D0, 8 bytes long.
 Data: <  &#234; &#142;   > 00 00 EA 8D 8E 01 00 00 
{3833965} normal block at 0x0000018E8DF10A40, 8 bytes long.
 Data: <@Z&#216; &#142;   > 40 5A D8 8F 8E 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000018E8DF06670, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000018E8DF078A0, 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 0x0000018E8DF16710, 16 bytes long.
 Data: < o&#241; &#142;           > 08 6F F1 8D 8E 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000018E8DF16580, 16 bytes long.
 Data: <&#224;n&#241; &#142;           > E0 6E F1 8D 8E 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000018E8DF0F690, 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 0x0000018E8DF16530, 16 bytes long.
 Data: <&#184;n&#241; &#142;           > B8 6E F1 8D 8E 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000018E8DF164E0, 16 bytes long.
 Data: < n&#241; &#142;           > 90 6E F1 8D 8E 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018E8DF16490, 16 bytes long.
 Data: <hn&#241; &#142;           > 68 6E F1 8D 8E 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018E8DF15EF0, 16 bytes long.
 Data: <@n&#241; &#142;           > 40 6E F1 8D 8E 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000018E8DF15550, 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 0x0000018E8DF166C0, 16 bytes long.
 Data: < &#189;&#239; &#142;           > 98 BD EF 8D 8E 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000018E8DF0E9D0, 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 0x0000018E8DF15CC0, 16 bytes long.
 Data: <p&#189;&#239; &#142;           > 70 BD EF 8D 8E 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018E8DF16350, 16 bytes long.
 Data: <H&#189;&#239; &#142;           > 48 BD EF 8D 8E 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018E8DF163A0, 16 bytes long.
 Data: < &#189;&#239; &#142;           > 20 BD EF 8D 8E 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018E8DF16170, 16 bytes long.
 Data: <&#248;&#188;&#239; &#142;           > F8 BC EF 8D 8E 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018E8DF16990, 16 bytes long.
 Data: <&#208;&#188;&#239; &#142;           > D0 BC EF 8D 8E 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018E8DF168A0, 16 bytes long.
 Data: <&#168;&#188;&#239; &#142;           > A8 BC EF 8D 8E 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018E8DF0F750, 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 0x0000018E8DF15E00, 16 bytes long.
 Data: < &#188;&#239; &#142;           > 80 BC EF 8D 8E 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018E8DEFBC80, 320 bytes long.
 Data: < ^&#241; &#142;   P&#247;&#240; &#142;   > 00 5E F1 8D 8E 01 00 00 50 F7 F0 8D 8E 01 00 00 
{278} normal block at 0x0000018E8DF15D10, 16 bytes long.
 Data: < n&#241; &#142;           > 20 6E F1 8D 8E 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018E8DF15C20, 16 bytes long.
 Data: <&#248;m&#241; &#142;           > F8 6D F1 8D 8E 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018E8DF0EC70, 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 0x0000018E8DF162B0, 16 bytes long.
 Data: <&#208;m&#241; &#142;           > D0 6D F1 8D 8E 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000018E8DF0F450, 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 0x0000018E8DF16030, 16 bytes long.
 Data: < m&#241; &#142;           > 18 6D F1 8D 8E 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018E8DF16300, 16 bytes long.
 Data: <&#240;l&#241; &#142;           > F0 6C F1 8D 8E 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018E8DF16440, 16 bytes long.
 Data: <&#200;l&#241; &#142;           > C8 6C F1 8D 8E 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018E8DF15FE0, 16 bytes long.
 Data: <&#160;l&#241; &#142;           > A0 6C F1 8D 8E 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000018E8DF161C0, 16 bytes long.
 Data: <xl&#241; &#142;           > 78 6C F1 8D 8E 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018E8DF16260, 16 bytes long.
 Data: <Pl&#241; &#142;           > 50 6C F1 8D 8E 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018E8DF160D0, 16 bytes long.
 Data: <&#192;U&#241; &#142;           > C0 55 F1 8D 8E 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018E8DF155C0, 40 bytes long.
 Data: <&#208;`&#241; &#142;   &#192;&#208;&#207; &#142;   > D0 60 F1 8D 8E 01 00 00 C0 D0 CF 8F 8E 01 00 00 
{264} normal block at 0x0000018E8DF16800, 16 bytes long.
 Data: <0l&#241; &#142;           > 30 6C F1 8D 8E 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000018E8DF16A80, 16 bytes long.
 Data: < l&#241; &#142;           > 08 6C F1 8D 8E 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018E8DF0EA90, 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 0x0000018E8DF15C70, 16 bytes long.
 Data: <&#224;k&#241; &#142;           > E0 6B F1 8D 8E 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000018E8DF16BE0, 992 bytes long.
 Data: <p\&#241; &#142;    &#234;&#240; &#142;   > 70 5C F1 8D 8E 01 00 00 90 EA F0 8D 8E 01 00 00 
{96} normal block at 0x0000018E8DF0EFD0, 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 0x0000018E8DF10860, 16 bytes long.
 Data: < &#202;&#239; &#142;           > 10 CA EF 8D 8E 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000018E8DEFCA10, 40 bytes long.
 Data: <` &#241; &#142;   &#208;&#239;&#240; &#142;   > 60 08 F1 8D 8E 01 00 00 D0 EF F0 8D 8E 01 00 00 
{73} normal block at 0x0000018E8DF109F0, 16 bytes long.
 Data: < &#234;# &#246;           > 80 EA 23 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000018E8DF10DB0, 16 bytes long.
 Data: <@&#233;# &#246;           > 40 E9 23 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000018E8DF109A0, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000018E8DF11080, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000018E8DF10680, 16 bytes long.
 Data: <P   &#246;           > 50 04 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000018E8DF113A0, 16 bytes long.
 Data: <0   &#246;           > 30 04 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000018E8DF10CC0, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000018E8DF107C0, 16 bytes long.
 Data: <    &#246;           > 10 04 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000018E8DF10F40, 16 bytes long.
 Data: <p   &#246;           > 70 04 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000018E8DF10720, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 1E 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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