Task 38668749

Name test_42-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND2290_0
Workunit 31611198
Created 25 Oct 2026, 12:39:28 UTC
Sent 25 Oct 2026, 12:39:34 UTC
Report deadline 30 Oct 2026, 12:39:34 UTC
Received 25 Oct 2026, 13:37:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 643627
Run time 23 min 16 sec
CPU time 19 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 761.45 MB
Peak swap size 13.18 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
08:02:35 (29040): wrapper (7.9.26016): starting
08:02:35 (29040): 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
08:02:36 (29040): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:02:36 (29040): 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
08:24:48 (29040): C:/Windows/system32/cmd.exe exited; CPU time 1193.796875
08:24:48 (29040): 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: 28593307 bytes.
Dumping objects ->
{3835497} normal block at 0x000002081E195090, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835486} normal block at 0x000002081E195020, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x000002081E194F40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835464} normal block at 0x000002081E195480, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835453} normal block at 0x000002081E1954F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835422} normal block at 0x000002081FDF6600, 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) : {3835409} normal block at 0x000002081E18FCB0, 8 bytes long.
 Data: <        > 00 00 13 1E 08 02 00 00 
{3833969} normal block at 0x000002081E190520, 8 bytes long.
 Data: <@&#177;&#224;     > 40 B1 E0 1F 08 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000002081E191DF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000002081E17FCF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x000002081E196760, 16 bytes long.
 Data: < o              > 08 6F 19 1E 08 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002081E1966C0, 16 bytes long.
 Data: <&#224;n              > E0 6E 19 1E 08 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002081E18DB50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x000002081E196260, 16 bytes long.
 Data: <&#184;n              > B8 6E 19 1E 08 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002081E196210, 16 bytes long.
 Data: < n              > 90 6E 19 1E 08 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002081E196940, 16 bytes long.
 Data: <hn              > 68 6E 19 1E 08 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002081E196030, 16 bytes long.
 Data: <@n              > 40 6E 19 1E 08 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002081E195560, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x000002081E196B20, 16 bytes long.
 Data: <&#248;               > F8 08 18 1E 08 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002081E18DD30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x000002081E195E50, 16 bytes long.
 Data: <&#208;               > D0 08 18 1E 08 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002081E195FE0, 16 bytes long.
 Data: <&#168;               > A8 08 18 1E 08 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002081E195F40, 16 bytes long.
 Data: <                > 80 08 18 1E 08 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002081E196080, 16 bytes long.
 Data: <X               > 58 08 18 1E 08 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002081E196710, 16 bytes long.
 Data: <0               > 30 08 18 1E 08 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002081E1964E0, 16 bytes long.
 Data: <                > 08 08 18 1E 08 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002081E18DA90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x000002081E1967B0, 16 bytes long.
 Data: <&#224;               > E0 07 18 1E 08 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002081E1807E0, 320 bytes long.
 Data: <&#176;g       &#218;      > B0 67 19 1E 08 02 00 00 90 DA 18 1E 08 02 00 00 
{280} normal block at 0x000002081E1961C0, 16 bytes long.
 Data: < n              > 20 6E 19 1E 08 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002081E1963F0, 16 bytes long.
 Data: <&#248;m              > F8 6D 19 1E 08 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002081E18DA30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x000002081E196670, 16 bytes long.
 Data: <&#208;m              > D0 6D 19 1E 08 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002081E18E150, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x000002081E1960D0, 16 bytes long.
 Data: < m              > 18 6D 19 1E 08 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002081E196120, 16 bytes long.
 Data: <&#240;l              > F0 6C 19 1E 08 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002081E1968A0, 16 bytes long.
 Data: <&#200;l              > C8 6C 19 1E 08 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002081E196850, 16 bytes long.
 Data: <&#160;l              > A0 6C 19 1E 08 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002081E1963A0, 16 bytes long.
 Data: <xl              > 78 6C 19 1E 08 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002081E196580, 16 bytes long.
 Data: <Pl              > 50 6C 19 1E 08 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002081E196170, 16 bytes long.
 Data: <&#208;N              > D0 4E 19 1E 08 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002081E194ED0, 40 bytes long.
 Data: <pa       f&#223;     > 70 61 19 1E 08 02 00 00 00 66 DF 1F 08 02 00 00 
{266} normal block at 0x000002081E195F90, 16 bytes long.
 Data: <0l              > 30 6C 19 1E 08 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002081E195D10, 16 bytes long.
 Data: < l              > 08 6C 19 1E 08 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002081E18D790, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x000002081E195EA0, 16 bytes long.
 Data: <&#224;k              > E0 6B 19 1E 08 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002081E196BE0, 992 bytes long.
 Data: <&#160;^       &#215;      > A0 5E 19 1E 08 02 00 00 90 D7 18 1E 08 02 00 00 
{98} normal block at 0x000002081E18DBB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000002081E1904D0, 16 bytes long.
 Data: < &#231;              > 00 E7 17 1E 08 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000002081E17E700, 40 bytes long.
 Data: <&#208;       &#176;&#219;      > D0 04 19 1E 08 02 00 00 B0 DB 18 1E 08 02 00 00 
{75} normal block at 0x000002081E190480, 16 bytes long.
 Data: < &#234;&#247;&#208;&#246;           > 80 EA F7 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002081E18FB70, 16 bytes long.
 Data: <@&#233;&#247;&#208;&#246;           > 40 E9 F7 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002081E18FDF0, 16 bytes long.
 Data: <&#248;W&#244;&#208;&#246;           > F8 57 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002081E18FE40, 16 bytes long.
 Data: <&#216;W&#244;&#208;&#246;           > D8 57 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002081E190390, 16 bytes long.
 Data: <P &#244;&#208;&#246;           > 50 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002081E190250, 16 bytes long.
 Data: <0 &#244;&#208;&#246;           > 30 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002081E1902A0, 16 bytes long.
 Data: <&#224; &#244;&#208;&#246;           > E0 02 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002081E18FC60, 16 bytes long.
 Data: <  &#244;&#208;&#246;           > 10 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002081E18FF30, 16 bytes long.
 Data: <p &#244;&#208;&#246;           > 70 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002081E1900C0, 16 bytes long.
 Data: < &#192;&#242;&#208;&#246;           > 18 C0 F2 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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