Task 38684950

Name test_799-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND4048_0
Workunit 31626448
Created 27 Oct 2026, 18:43:43 UTC
Sent 27 Oct 2026, 18:43:46 UTC
Report deadline 1 Nov 2026, 18:43:46 UTC
Received 27 Oct 2026, 21:39:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618086
Run time 59 min
CPU time 51 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,339.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 739.26 MB
Peak swap size 8.42 GB
Peak disk usage 3.74 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:42:40 (33208): wrapper (7.9.26016): starting
13:42:40 (33208): 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
13:42:43 (33208): Library/usr/bin/tar.exe exited; CPU time 0.015625
13:42:43 (33208): 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
14:39:05 (33208): C:/Windows/system32/cmd.exe exited; CPU time 3063.500000
14:39:05 (33208): 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: 64439179 bytes.
Dumping objects ->
{3835458} normal block at 0x000001955CEB9700, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835447} normal block at 0x000001955CEB9460, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835436} normal block at 0x000001955CEB8D60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835425} normal block at 0x000001955B0C5530, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835414} normal block at 0x000001955B0C54C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835383} normal block at 0x000001955CEC6E70, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835372} normal block at 0x000001955CEDFD60, 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) : {3835369} normal block at 0x000001955B0BE6B0, 8 bytes long.
 Data: <  &#210;\&#149;   > 00 00 D2 5C 95 01 00 00 
{3834654} normal block at 0x000001955CEDFCB0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000001955B0BE390, 8 bytes long.
 Data: <&#176;I [&#149;   > B0 49 0C 5B 95 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001955B0C26A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001955B0B6A10, 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 0x000001955B0C6190, 16 bytes long.
 Data: < s [&#149;           > 88 73 0C 5B 95 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001955B0C65A0, 16 bytes long.
 Data: <`s [&#149;           > 60 73 0C 5B 95 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001955B0BFC50, 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 0x000001955B0C6780, 16 bytes long.
 Data: <8s [&#149;           > 38 73 0C 5B 95 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001955B0C6FF0, 16 bytes long.
 Data: < s [&#149;           > 10 73 0C 5B 95 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001955B0C6E10, 16 bytes long.
 Data: <&#232;r [&#149;           > E8 72 0C 5B 95 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001955B0C6FA0, 16 bytes long.
 Data: <&#192;r [&#149;           > C0 72 0C 5B 95 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001955B0C55A0, 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 0x000001955B0C6550, 16 bytes long.
 Data: <X\ [&#149;           > 58 5C 0C 5B 95 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001955B0BFCB0, 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 0x000001955B0C6370, 16 bytes long.
 Data: <0\ [&#149;           > 30 5C 0C 5B 95 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001955B0C6E60, 16 bytes long.
 Data: < \ [&#149;           > 08 5C 0C 5B 95 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001955B0C6460, 16 bytes long.
 Data: <&#224;[ [&#149;           > E0 5B 0C 5B 95 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001955B0C64B0, 16 bytes long.
 Data: <&#184;[ [&#149;           > B8 5B 0C 5B 95 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001955B0C6320, 16 bytes long.
 Data: < [ [&#149;           > 90 5B 0C 5B 95 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001955B0C6140, 16 bytes long.
 Data: <h[ [&#149;           > 68 5B 0C 5B 95 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001955B0BFB90, 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 0x000001955B0C6AF0, 16 bytes long.
 Data: <@[ [&#149;           > 40 5B 0C 5B 95 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001955B0C5B40, 320 bytes long.
 Data: <&#240;j [&#149;    &#251; [&#149;   > F0 6A 0C 5B 95 01 00 00 90 FB 0B 5B 95 01 00 00 
{278} normal block at 0x000001955B0C69B0, 16 bytes long.
 Data: <&#160;r [&#149;           > A0 72 0C 5B 95 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001955B0C6820, 16 bytes long.
 Data: <xr [&#149;           > 78 72 0C 5B 95 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001955B0BFA70, 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 0x000001955B0C6A50, 16 bytes long.
 Data: <Pr [&#149;           > 50 72 0C 5B 95 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001955B0BFF50, 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 0x000001955B0C6EB0, 16 bytes long.
 Data: < q [&#149;           > 98 71 0C 5B 95 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001955B0C6960, 16 bytes long.
 Data: <pq [&#149;           > 70 71 0C 5B 95 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001955B0C6500, 16 bytes long.
 Data: <Hq [&#149;           > 48 71 0C 5B 95 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001955B0C6F00, 16 bytes long.
 Data: < q [&#149;           > 20 71 0C 5B 95 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001955B0C60F0, 16 bytes long.
 Data: <&#248;p [&#149;           > F8 70 0C 5B 95 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001955B0C6410, 16 bytes long.
 Data: <&#208;p [&#149;           > D0 70 0C 5B 95 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001955B0C6C80, 16 bytes long.
 Data: <&#176;Q [&#149;           > B0 51 0C 5B 95 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001955B0C51B0, 40 bytes long.
 Data: < l [&#149;   pn&#236;\&#149;   > 80 6C 0C 5B 95 01 00 00 70 6E EC 5C 95 01 00 00 
{264} normal block at 0x000001955B0C67D0, 16 bytes long.
 Data: <&#176;p [&#149;           > B0 70 0C 5B 95 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001955B0C60A0, 16 bytes long.
 Data: < p [&#149;           > 88 70 0C 5B 95 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001955B0C0370, 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 0x000001955B0C6C30, 16 bytes long.
 Data: <`p [&#149;           > 60 70 0C 5B 95 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001955B0C7060, 992 bytes long.
 Data: <0l [&#149;   p  [&#149;   > 30 6C 0C 5B 95 01 00 00 70 03 0C 5B 95 01 00 00 
{96} normal block at 0x000001955B0C0310, 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 0x000001955B0BE480, 16 bytes long.
 Data: <@Q [&#149;           > 40 51 0C 5B 95 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001955B0C5140, 40 bytes long.
 Data: < &#228; [&#149;      [&#149;   > 80 E4 0B 5B 95 01 00 00 10 03 0C 5B 95 01 00 00 
{73} normal block at 0x000001955B0BDBC0, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 06 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001955B0BE2F0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 06 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001955B0BDB70, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001955B0BDA30, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001955B0BDDF0, 16 bytes long.
 Data: <P   &#246;           > 50 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001955B0BE430, 16 bytes long.
 Data: <0   &#246;           > 30 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001955B0BE570, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001955B0BE2A0, 16 bytes long.
 Data: <    &#246;           > 10 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001955B0BD9E0, 16 bytes long.
 Data: <p   &#246;           > 70 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001955B0BE110, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 01 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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