Task 38653409

Name test_78-GPUGRID_TEST_ATM_4STEP_20261023-1-4-RND8406_0
Workunit 31597372
Created 24 Oct 2026, 5:33:10 UTC
Sent 24 Oct 2026, 5:42:27 UTC
Report deadline 29 Oct 2026, 5:42:27 UTC
Received 24 Oct 2026, 6:22:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652623
Run time 21 min 7 sec
CPU time 20 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,130.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 751.89 MB
Peak swap size 13.00 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:02:15 (42664): wrapper (7.9.26016): starting
02:02:15 (42664): 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
02:02:16 (42664): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:02:16 (42664): 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\16\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\16\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
02:22:28 (42664): C:/Windows/system32/cmd.exe exited; CPU time 1203.578125
02:22:28 (42664): 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: 29458653 bytes.
Dumping objects ->
{3835439} normal block at 0x000002B41F10E980, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835428} normal block at 0x000002B41D3C65D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835417} normal block at 0x000002B41D3C6A30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835406} normal block at 0x000002B41D3C69C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835395} normal block at 0x000002B41D3C6CD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835364} normal block at 0x000002B41F1590D0, 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) : {3835351} normal block at 0x000002B41D3C1130, 8 bytes long.
 Data: <  9 &#180;   > 00 00 39 1D B4 02 00 00 
{3833967} normal block at 0x000002B41D3C0BE0, 8 bytes long.
 Data: < N  &#180;   > 80 4E 1B 1F B4 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002B41D3C3950, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002B41D3B7E80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000002B41D3C7120, 16 bytes long.
 Data: <x&#130;< &#180;           > 78 82 3C 1D B4 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002B41D3C7710, 16 bytes long.
 Data: <P&#130;< &#180;           > 50 82 3C 1D B4 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002B41D3BEA10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000002B41D3C7580, 16 bytes long.
 Data: <(&#130;< &#180;           > 28 82 3C 1D B4 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002B41D3C70D0, 16 bytes long.
 Data: < &#130;< &#180;           > 00 82 3C 1D B4 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002B41D3C7620, 16 bytes long.
 Data: <&#216; < &#180;           > D8 81 3C 1D B4 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002B41D3C7AD0, 16 bytes long.
 Data: <&#176; < &#180;           > B0 81 3C 1D B4 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002B41D3C66B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000002B41D3C7080, 16 bytes long.
 Data: <h < &#180;           > 68 06 3C 1D B4 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002B41D3BF1F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000002B41D3C76C0, 16 bytes long.
 Data: <@ < &#180;           > 40 06 3C 1D B4 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002B41D3C7350, 16 bytes long.
 Data: <  < &#180;           > 18 06 3C 1D B4 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002B41D3C6F90, 16 bytes long.
 Data: <&#240; < &#180;           > F0 05 3C 1D B4 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002B41D3C7D00, 16 bytes long.
 Data: <&#200; < &#180;           > C8 05 3C 1D B4 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002B41D3C7A80, 16 bytes long.
 Data: <&#160; < &#180;           > A0 05 3C 1D B4 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002B41D3C7DF0, 16 bytes long.
 Data: <x < &#180;           > 78 05 3C 1D B4 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002B41D3BF610, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000002B41D3C7030, 16 bytes long.
 Data: <P < &#180;           > 50 05 3C 1D B4 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002B41D3C0550, 320 bytes long.
 Data: <0p< &#180;    &#246;; &#180;   > 30 70 3C 1D B4 02 00 00 10 F6 3B 1D B4 02 00 00 
{279} normal block at 0x000002B41D3C7210, 16 bytes long.
 Data: <  < &#180;           > 90 81 3C 1D B4 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002B41D3C79E0, 16 bytes long.
 Data: <h < &#180;           > 68 81 3C 1D B4 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002B41D3BE9B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000002B41D3C7DA0, 16 bytes long.
 Data: <@ < &#180;           > 40 81 3C 1D B4 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002B41D3BED10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000002B41D3C71C0, 16 bytes long.
 Data: <  < &#180;           > 88 80 3C 1D B4 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002B41D3C7800, 16 bytes long.
 Data: <` < &#180;           > 60 80 3C 1D B4 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002B41D3C7990, 16 bytes long.
 Data: <8 < &#180;           > 38 80 3C 1D B4 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002B41D3C78F0, 16 bytes long.
 Data: <  < &#180;           > 10 80 3C 1D B4 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002B41D3C7EE0, 16 bytes long.
 Data: <&#232; < &#180;           > E8 7F 3C 1D B4 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002B41D3C72B0, 16 bytes long.
 Data: <&#192; < &#180;           > C0 7F 3C 1D B4 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002B41D3C7E90, 16 bytes long.
 Data: <@f< &#180;           > 40 66 3C 1D B4 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002B41D3C6640, 40 bytes long.
 Data: < ~< &#180;   &#208;   &#180;   > 90 7E 3C 1D B4 02 00 00 D0 90 15 1F B4 02 00 00 
{265} normal block at 0x000002B41D3C7E40, 16 bytes long.
 Data: <&#160; < &#180;           > A0 7F 3C 1D B4 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002B41D3C78A0, 16 bytes long.
 Data: <x < &#180;           > 78 7F 3C 1D B4 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002B41D3BF5B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000002B41D3C7CB0, 16 bytes long.
 Data: <P < &#180;           > 50 7F 3C 1D B4 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002B41D3C7F50, 992 bytes long.
 Data: <&#176;|< &#180;   &#176;&#245;; &#180;   > B0 7C 3C 1D B4 02 00 00 B0 F5 3B 1D B4 02 00 00 
{97} normal block at 0x000002B41D3BEAD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000002B41D3C1A40, 16 bytes long.
 Data: <@&#223;: &#180;           > 40 DF 3A 1D B4 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000002B41D3ADF40, 40 bytes long.
 Data: <@ < &#180;   &#208;&#234;; &#180;   > 40 1A 3C 1D B4 02 00 00 D0 EA 3B 1D B4 02 00 00 
{74} normal block at 0x000002B41D3C0B90, 16 bytes long.
 Data: < &#234;)C&#247;           > 80 EA 29 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002B41D3C1720, 16 bytes long.
 Data: <@&#233;)C&#247;           > 40 E9 29 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002B41D3C14F0, 16 bytes long.
 Data: <&#248;W&C&#247;           > F8 57 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002B41D3C1860, 16 bytes long.
 Data: <&#216;W&C&#247;           > D8 57 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002B41D3C0FA0, 16 bytes long.
 Data: <P &C&#247;           > 50 04 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002B41D3C16D0, 16 bytes long.
 Data: <0 &C&#247;           > 30 04 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002B41D3C0E60, 16 bytes long.
 Data: <&#224; &C&#247;           > E0 02 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002B41D3C0E10, 16 bytes long.
 Data: <  &C&#247;           > 10 04 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002B41D3C1810, 16 bytes long.
 Data: <p &C&#247;           > 70 04 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002B41D3C1400, 16 bytes long.
 Data: < &#192;$C&#247;           > 18 C0 24 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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