Task 38696248

Name test_345-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND9543_0
Workunit 31636891
Created 31 Oct 2026, 21:13:51 UTC
Sent 31 Oct 2026, 21:13:56 UTC
Report deadline 5 Nov 2026, 21:13:56 UTC
Received 31 Oct 2026, 21:43:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 512671
Run time 29 min 11 sec
CPU time 26 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,451.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 715.69 MB
Peak swap size 9.82 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:15:36 (295236): wrapper (7.9.26016): starting
17:15:36 (295236): 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
17:15:37 (295236): Library/usr/bin/tar.exe exited; CPU time 0.046875
17:15:37 (295236): 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
17:43:33 (295236): C:/Windows/system32/cmd.exe exited; CPU time 1598.187500
17:43:33 (295236): 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: 42700303 bytes.
Dumping objects ->
{3835263} normal block at 0x00000230740AE140, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835252} normal block at 0x00000230724A5460, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835241} normal block at 0x00000230724A53F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835230} normal block at 0x00000230724A5A10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x00000230724A5930, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835188} normal block at 0x00000230740FBEC0, 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) : {3835175} normal block at 0x000002307249DA60, 8 bytes long.
 Data: <  &#226;s0   > 00 00 E2 73 30 02 00 00 
{3833965} normal block at 0x000002307249E3C0, 8 bytes long.
 Data: < &#221;Hr0   > 00 DD 48 72 30 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000230724A1F10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000023072496920, 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 0x00000230724A6240, 16 bytes long.
 Data: < rJr0           > 08 72 4A 72 30 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000230724A6380, 16 bytes long.
 Data: <&#224;qJr0           > E0 71 4A 72 30 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002307249FBE0, 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 0x00000230724A61F0, 16 bytes long.
 Data: <&#184;qJr0           > B8 71 4A 72 30 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000230724A67E0, 16 bytes long.
 Data: < qJr0           > 90 71 4A 72 30 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000230724A61A0, 16 bytes long.
 Data: <hqJr0           > 68 71 4A 72 30 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000230724A6470, 16 bytes long.
 Data: <@qJr0           > 40 71 4A 72 30 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000230724A5380, 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 0x00000230724A6150, 16 bytes long.
 Data: < &#150;Ir0           > 88 96 49 72 30 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002307249F940, 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 0x00000230724A6100, 16 bytes long.
 Data: <`&#150;Ir0           > 60 96 49 72 30 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000230724A6830, 16 bytes long.
 Data: <8&#150;Ir0           > 38 96 49 72 30 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000230724A6AB0, 16 bytes long.
 Data: < &#150;Ir0           > 10 96 49 72 30 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000230724A6B50, 16 bytes long.
 Data: <&#232;&#149;Ir0           > E8 95 49 72 30 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000230724A5FC0, 16 bytes long.
 Data: <&#192;&#149;Ir0           > C0 95 49 72 30 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000230724A60B0, 16 bytes long.
 Data: < &#149;Ir0           > 98 95 49 72 30 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000230724A0720, 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 0x00000230724A5F70, 16 bytes long.
 Data: <p&#149;Ir0           > 70 95 49 72 30 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023072499570, 320 bytes long.
 Data: <p_Jr0     Jr0   > 70 5F 4A 72 30 02 00 00 20 07 4A 72 30 02 00 00 
{278} normal block at 0x00000230724A6510, 16 bytes long.
 Data: < qJr0           > 20 71 4A 72 30 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000230724A66F0, 16 bytes long.
 Data: <&#248;pJr0           > F8 70 4A 72 30 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000230724A0240, 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 0x00000230724A5F20, 16 bytes long.
 Data: <&#208;pJr0           > D0 70 4A 72 30 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000230724A05A0, 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 0x00000230724A64C0, 16 bytes long.
 Data: < pJr0           > 18 70 4A 72 30 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000230724A68D0, 16 bytes long.
 Data: <&#240;oJr0           > F0 6F 4A 72 30 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000230724A66A0, 16 bytes long.
 Data: <&#200;oJr0           > C8 6F 4A 72 30 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000230724A6E70, 16 bytes long.
 Data: <&#160;oJr0           > A0 6F 4A 72 30 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000230724A6D30, 16 bytes long.
 Data: <xoJr0           > 78 6F 4A 72 30 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000230724A6010, 16 bytes long.
 Data: <PoJr0           > 50 6F 4A 72 30 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000230724A6C40, 16 bytes long.
 Data: < WJr0           > 00 57 4A 72 30 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000230724A5700, 40 bytes long.
 Data: <@lJr0   &#192;&#190; t0   > 40 6C 4A 72 30 02 00 00 C0 BE 0F 74 30 02 00 00 
{264} normal block at 0x00000230724A6D80, 16 bytes long.
 Data: <0oJr0           > 30 6F 4A 72 30 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000230724A6A60, 16 bytes long.
 Data: < oJr0           > 08 6F 4A 72 30 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000230724A0060, 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 0x00000230724A6600, 16 bytes long.
 Data: <&#224;nJr0           > E0 6E 4A 72 30 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000230724A6EE0, 992 bytes long.
 Data: < fJr0   ` Jr0   > 00 66 4A 72 30 02 00 00 60 00 4A 72 30 02 00 00 
{96} normal block at 0x000002307249FE80, 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 0x000002307249DE70, 16 bytes long.
 Data: <`&#216;Hr0           > 60 D8 48 72 30 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002307248D860, 40 bytes long.
 Data: <p&#222;Ir0    &#254;Ir0   > 70 DE 49 72 30 02 00 00 80 FE 49 72 30 02 00 00 
{73} normal block at 0x000002307249E1E0, 16 bytes long.
 Data: < &#234;~&#192;&#247;           > 80 EA 7E C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002307249D880, 16 bytes long.
 Data: <@&#233;~&#192;&#247;           > 40 E9 7E C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002307249DE20, 16 bytes long.
 Data: <&#248;W{&#192;&#247;           > F8 57 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002307249E280, 16 bytes long.
 Data: <&#216;W{&#192;&#247;           > D8 57 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002307249DC40, 16 bytes long.
 Data: <P {&#192;&#247;           > 50 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002307249DF10, 16 bytes long.
 Data: <0 {&#192;&#247;           > 30 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002307249DB00, 16 bytes long.
 Data: <&#224; {&#192;&#247;           > E0 02 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002307249D830, 16 bytes long.
 Data: <  {&#192;&#247;           > 10 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002307249D7E0, 16 bytes long.
 Data: <p {&#192;&#247;           > 70 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002307249DA10, 16 bytes long.
 Data: < &#192;y&#192;&#247;           > 18 C0 79 C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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