Task 38661896

Name test_126-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND6041_0
Workunit 31605270
Created 24 Oct 2026, 16:28:36 UTC
Sent 24 Oct 2026, 17:51:43 UTC
Report deadline 29 Oct 2026, 17:51:43 UTC
Received 24 Oct 2026, 21:44:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649181
Run time 35 min 34 sec
CPU time 32 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,847.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 721.59 MB
Peak swap size 8.42 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:31:20 (10228): wrapper (7.9.26016): starting
21:31:20 (10228): 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
21:31:22 (10228): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:31:22 (10228): 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 'H:\ProgramData\BOINC\slots\21\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 'H:\ProgramData\BOINC\slots\21\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
22:05:30 (10228): C:/Windows/system32/cmd.exe exited; CPU time 1946.859375
22:05:30 (10228): 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: 41161733 bytes.
Dumping objects ->
{3835430} normal block at 0x00000202641D5D80, 48 bytes long.
 Data: <PATH=H:\ProgramD> 50 41 54 48 3D 48 3A 5C 50 72 6F 67 72 61 6D 44 
{3835419} normal block at 0x00000202641D5C30, 48 bytes long.
 Data: <HOME=H:\ProgramD> 48 4F 4D 45 3D 48 3A 5C 50 72 6F 67 72 61 6D 44 
{3835408} normal block at 0x00000202641D5B50, 48 bytes long.
 Data: <TMP=H:\ProgramDa> 54 4D 50 3D 48 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835397} normal block at 0x00000202641D5920, 48 bytes long.
 Data: <TEMP=H:\ProgramD> 54 45 4D 50 3D 48 3A 5C 50 72 6F 67 72 61 6D 44 
{3835386} normal block at 0x00000202641D5A70, 48 bytes long.
 Data: <TMPDIR=H:\Progra> 54 4D 50 44 49 52 3D 48 3A 5C 50 72 6F 67 72 61 
{3835355} normal block at 0x0000020265ECA1C0, 64 bytes long.
 Data: <PATH=H:\ProgramD> 50 41 54 48 3D 48 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835342} normal block at 0x00000202641CEE00, 8 bytes long.
 Data: <  sd    > 00 00 73 64 02 02 00 00 
{3833955} normal block at 0x00000202641CF670, 8 bytes long.
 Data: <&#192;A&#242;e    > C0 41 F2 65 02 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000202641D0630, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000202641C5970, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x00000202641D46D0, 16 bytes long.
 Data: <&#168;U d            > A8 55 1D 64 02 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000202641D4590, 16 bytes long.
 Data: < U d            > 80 55 1D 64 02 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000202641CE4D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x00000202641D4540, 16 bytes long.
 Data: <XU d            > 58 55 1D 64 02 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000202641D4D60, 16 bytes long.
 Data: <0U d            > 30 55 1D 64 02 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000202641D44A0, 16 bytes long.
 Data: < U d            > 08 55 1D 64 02 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000202641D4770, 16 bytes long.
 Data: <&#224;T d            > E0 54 1D 64 02 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000202641D5840, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x00000202641D4D10, 16 bytes long.
 Data: <H&#180; d            > 48 B4 1B 64 02 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000202641CE830, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x00000202641D5030, 16 bytes long.
 Data: < &#180; d            > 20 B4 1B 64 02 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000202641D4A40, 16 bytes long.
 Data: <&#248;&#179; d            > F8 B3 1B 64 02 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000202641D4CC0, 16 bytes long.
 Data: <&#208;&#179; d            > D0 B3 1B 64 02 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000202641D4B80, 16 bytes long.
 Data: <&#168;&#179; d            > A8 B3 1B 64 02 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000202641D4E00, 16 bytes long.
 Data: < &#179; d            > 80 B3 1B 64 02 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000202641D44F0, 16 bytes long.
 Data: <X&#179; d            > 58 B3 1B 64 02 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000202641CE470, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x00000202641D42C0, 16 bytes long.
 Data: <0&#179; d            > 30 B3 1B 64 02 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000202641BB330, 320 bytes long.
 Data: <&#192;B d    p&#228; d    > C0 42 1D 64 02 02 00 00 70 E4 1C 64 02 02 00 00 
{273} normal block at 0x00000202641D51C0, 16 bytes long.
 Data: <&#192;T d            > C0 54 1D 64 02 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000202641D4AE0, 16 bytes long.
 Data: < T d            > 98 54 1D 64 02 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000202641CDE10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x00000202641D4450, 16 bytes long.
 Data: <pT d            > 70 54 1D 64 02 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000202641CE6B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x00000202641D4400, 16 bytes long.
 Data: <&#184;S d            > B8 53 1D 64 02 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000202641D5210, 16 bytes long.
 Data: < S d            > 90 53 1D 64 02 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000202641D4810, 16 bytes long.
 Data: <hS d            > 68 53 1D 64 02 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000202641D4C20, 16 bytes long.
 Data: <@S d            > 40 53 1D 64 02 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000202641D4360, 16 bytes long.
 Data: < S d            > 18 53 1D 64 02 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000202641D4950, 16 bytes long.
 Data: <&#240;R d            > F0 52 1D 64 02 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000202641D4FE0, 16 bytes long.
 Data: < &#228; d            > 10 E4 1B 64 02 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000202641BE410, 40 bytes long.
 Data: <&#224;O d    &#192;&#161;&#236;e    > E0 4F 1D 64 02 02 00 00 C0 A1 EC 65 02 02 00 00 
{259} normal block at 0x00000202641D4A90, 16 bytes long.
 Data: <&#208;R d            > D0 52 1D 64 02 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000202641D4BD0, 16 bytes long.
 Data: <&#168;R d            > A8 52 1D 64 02 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000202641CDD50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x00000202641D4310, 16 bytes long.
 Data: < R d            > 80 52 1D 64 02 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000202641D5280, 992 bytes long.
 Data: < C d    P&#221; d    > 10 43 1D 64 02 02 00 00 50 DD 1C 64 02 02 00 00 
{91} normal block at 0x00000202641CE170, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x00000202641CF490, 16 bytes long.
 Data: < &#140; d            > 80 8C 1B 64 02 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000202641B8C80, 40 bytes long.
 Data: < &#244; d    p&#225; d    > 90 F4 1C 64 02 02 00 00 70 E1 1C 64 02 02 00 00 
{68} normal block at 0x00000202641CFCB0, 16 bytes long.
 Data: < &#234;&#137;.&#246;           > 80 EA 89 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000202641CFAD0, 16 bytes long.
 Data: <@&#233;&#137;.&#246;           > 40 E9 89 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000202641CF8F0, 16 bytes long.
 Data: <&#248;W&#134;.&#246;           > F8 57 86 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000202641CEFE0, 16 bytes long.
 Data: <&#216;W&#134;.&#246;           > D8 57 86 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000202641CF940, 16 bytes long.
 Data: <P &#134;.&#246;           > 50 04 86 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000202641CF080, 16 bytes long.
 Data: <0 &#134;.&#246;           > 30 04 86 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000202641CF800, 16 bytes long.
 Data: <&#224; &#134;.&#246;           > E0 02 86 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000202641CF580, 16 bytes long.
 Data: <  &#134;.&#246;           > 10 04 86 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000202641CF3F0, 16 bytes long.
 Data: <p &#134;.&#246;           > 70 04 86 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000202641CF300, 16 bytes long.
 Data: < &#192;&#132;.&#246;           > 18 C0 84 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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