Task 38685191

Name test_329-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND1765_0
Workunit 31626669
Created 27 Oct 2026, 19:53:02 UTC
Sent 27 Oct 2026, 19:53:06 UTC
Report deadline 1 Nov 2026, 19:53:06 UTC
Received 27 Oct 2026, 20:25:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641471
Run time 28 min 25 sec
CPU time 26 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,609.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.30 MB
Peak swap size 8.47 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:56:55 (18464): wrapper (7.9.26016): starting
19:56:55 (18464): 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
19:56:56 (18464): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:56:56 (18464): 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\17\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\17\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
20:24:28 (18464): C:/Windows/system32/cmd.exe exited; CPU time 1571.718750
20:24:28 (18464): 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: 29693845 bytes.
Dumping objects ->
{3835253} normal block at 0x00000233BA0D9E90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x00000233BA0B4A00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x00000233BA0B47D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835220} normal block at 0x00000233BA0B4BC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x00000233BA0B4990, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835178} normal block at 0x00000233BBEA4380, 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) : {3835165} normal block at 0x00000233BA0AF970, 8 bytes long.
 Data: <  o&#186;3   > 00 00 6F BA 33 02 00 00 
{3833961} normal block at 0x00000233BA0B0050, 8 bytes long.
 Data: <&#224;H&#240;&#187;3   > E0 48 F0 BB 33 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000233BA0B0980, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000233BA09EF50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x00000233BA0B5A60, 16 bytes long.
 Data: <HV &#186;3           > 48 56 0B BA 33 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000233BA0B6190, 16 bytes long.
 Data: < V &#186;3           > 20 56 0B BA 33 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000233BA0AF060, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x00000233BA0B6230, 16 bytes long.
 Data: <&#248;U &#186;3           > F8 55 0B BA 33 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000233BA0B5CE0, 16 bytes long.
 Data: <&#208;U &#186;3           > D0 55 0B BA 33 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000233BA0B6690, 16 bytes long.
 Data: <&#168;U &#186;3           > A8 55 0B BA 33 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000233BA0B60A0, 16 bytes long.
 Data: < U &#186;3           > 80 55 0B BA 33 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000233BA0B4920, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x00000233BA0B5DD0, 16 bytes long.
 Data: <X  &#186;3           > 58 03 0A BA 33 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000233BA0AF4E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x00000233BA0B5880, 16 bytes long.
 Data: <0  &#186;3           > 30 03 0A BA 33 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000233BA0B5C90, 16 bytes long.
 Data: <   &#186;3           > 08 03 0A BA 33 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000233BA0B6500, 16 bytes long.
 Data: <&#224;  &#186;3           > E0 02 0A BA 33 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000233BA0B5D30, 16 bytes long.
 Data: <&#184;  &#186;3           > B8 02 0A BA 33 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000233BA0B65F0, 16 bytes long.
 Data: <   &#186;3           > 90 02 0A BA 33 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000233BA0B64B0, 16 bytes long.
 Data: <h  &#186;3           > 68 02 0A BA 33 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000233BA0AE940, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x00000233BA0B6410, 16 bytes long.
 Data: <@  &#186;3           > 40 02 0A BA 33 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000233BA0A0240, 320 bytes long.
 Data: < d &#186;3   @&#233; &#186;3   > 10 64 0B BA 33 02 00 00 40 E9 0A BA 33 02 00 00 
{276} normal block at 0x00000233BA0B66E0, 16 bytes long.
 Data: <`U &#186;3           > 60 55 0B BA 33 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000233BA0B65A0, 16 bytes long.
 Data: <8U &#186;3           > 38 55 0B BA 33 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000233BA0AF360, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x00000233BA0B6550, 16 bytes long.
 Data: < U &#186;3           > 10 55 0B BA 33 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000233BA0AEFA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x00000233BA0B5C40, 16 bytes long.
 Data: <XT &#186;3           > 58 54 0B BA 33 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000233BA0B5FB0, 16 bytes long.
 Data: <0T &#186;3           > 30 54 0B BA 33 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000233BA0B5EC0, 16 bytes long.
 Data: < T &#186;3           > 08 54 0B BA 33 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000233BA0B6460, 16 bytes long.
 Data: <&#224;S &#186;3           > E0 53 0B BA 33 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000233BA0B0190, 16 bytes long.
 Data: <&#184;S &#186;3           > B8 53 0B BA 33 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000233BA0B0000, 16 bytes long.
 Data: < S &#186;3           > 90 53 0B BA 33 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000233BA0AFE70, 16 bytes long.
 Data: <&#160;L &#186;3           > A0 4C 0B BA 33 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000233BA0B4CA0, 40 bytes long.
 Data: <p&#254; &#186;3    C&#234;&#187;3   > 70 FE 0A BA 33 02 00 00 80 43 EA BB 33 02 00 00 
{262} normal block at 0x00000233BA0B0730, 16 bytes long.
 Data: <pS &#186;3           > 70 53 0B BA 33 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000233BA0B05A0, 16 bytes long.
 Data: <HS &#186;3           > 48 53 0B BA 33 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000233BA0AF480, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x00000233BA0B04B0, 16 bytes long.
 Data: < S &#186;3           > 20 53 0B BA 33 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000233BA0B5320, 992 bytes long.
 Data: <&#176;  &#186;3    &#244; &#186;3   > B0 04 0B BA 33 02 00 00 80 F4 0A BA 33 02 00 00 
{94} normal block at 0x00000233BA0AE880, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x00000233BA0B0550, 16 bytes long.
 Data: <&#160;&#246;	&#186;3           > A0 F6 09 BA 33 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000233BA09F6A0, 40 bytes long.
 Data: <P  &#186;3    &#232; &#186;3   > 50 05 0B BA 33 02 00 00 80 E8 0A BA 33 02 00 00 
{71} normal block at 0x00000233BA0AFB50, 16 bytes long.
 Data: < &#234; p&#247;           > 80 EA 08 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000233BA0B0690, 16 bytes long.
 Data: <@&#233; p&#247;           > 40 E9 08 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000233BA0AFBA0, 16 bytes long.
 Data: <&#248;W p&#247;           > F8 57 05 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000233BA0B0230, 16 bytes long.
 Data: <&#216;W p&#247;           > D8 57 05 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000233BA0AFA10, 16 bytes long.
 Data: <P  p&#247;           > 50 04 05 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000233BA0AFE20, 16 bytes long.
 Data: <0  p&#247;           > 30 04 05 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000233BA0B0460, 16 bytes long.
 Data: <&#224;  p&#247;           > E0 02 05 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000233BA0B00A0, 16 bytes long.
 Data: <   p&#247;           > 10 04 05 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000233BA0AF830, 16 bytes long.
 Data: <p  p&#247;           > 70 04 05 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000233BA0AF8D0, 16 bytes long.
 Data: < &#192; p&#247;           > 18 C0 03 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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