Task 38673288

Name test_321-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND3331_0
Workunit 31615380
Created 26 Oct 2026, 2:01:51 UTC
Sent 26 Oct 2026, 2:01:57 UTC
Report deadline 31 Oct 2026, 2:01:57 UTC
Received 26 Oct 2026, 3:24:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 645443
Run time 46 min 4 sec
CPU time 36 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,172.90 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 697.84 MB
Peak swap size 3.89 GB
Peak disk usage 3.78 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:40:13 (26644): wrapper (7.9.26016): starting
02:40:13 (26644): 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
02:40:19 (26644): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:40:19 (26644): 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
03:23:41 (26644): C:/Windows/system32/cmd.exe exited; CPU time 2209.578125
03:23:41 (26644): 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: 70881717 bytes.
Dumping objects ->
{3835267} normal block at 0x000001536118F560, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835256} normal block at 0x000001536118F090, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x000001536118F250, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835234} normal block at 0x000001536118F330, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x000001536118F4F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835192} normal block at 0x0000015362DE2AE0, 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) : {3835179} normal block at 0x0000015362D95F30, 8 bytes long.
 Data: <  &#164;bS   > 00 00 A4 62 53 01 00 00 
{3833969} normal block at 0x0000015362D957B0, 8 bytes long.
 Data: <&#240;S&#227;bS   > F0 53 E3 62 53 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001536115D1F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000015361156AC0, 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 0x00000153611692E0, 16 bytes long.
 Data: <(&#197; aS           > 28 C5 16 61 53 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000015361169290, 16 bytes long.
 Data: < &#197; aS           > 00 C5 16 61 53 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000015361164F30, 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 0x0000015361169240, 16 bytes long.
 Data: <&#216;&#196; aS           > D8 C4 16 61 53 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000153611691A0, 16 bytes long.
 Data: <&#176;&#196; aS           > B0 C4 16 61 53 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000153611696A0, 16 bytes long.
 Data: < &#196; aS           > 88 C4 16 61 53 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000015361169BF0, 16 bytes long.
 Data: <`&#196; aS           > 60 C4 16 61 53 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000153611672D0, 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 0x0000015361169970, 16 bytes long.
 Data: <8&#191; aS           > 38 BF 16 61 53 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000015361164CF0, 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 0x0000015361169830, 16 bytes long.
 Data: < &#191; aS           > 10 BF 16 61 53 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000015361169A60, 16 bytes long.
 Data: <&#232;&#190; aS           > E8 BE 16 61 53 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000153611697E0, 16 bytes long.
 Data: <&#192;&#190; aS           > C0 BE 16 61 53 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000015361169880, 16 bytes long.
 Data: < &#190; aS           > 98 BE 16 61 53 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000015361169100, 16 bytes long.
 Data: <p&#190; aS           > 70 BE 16 61 53 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000015361168F70, 16 bytes long.
 Data: <H&#190; aS           > 48 BE 16 61 53 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000015361164C90, 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 0x0000015361169790, 16 bytes long.
 Data: < &#190; aS           > 20 BE 16 61 53 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001536116BE20, 320 bytes long.
 Data: < &#151; aS    L aS   > 90 97 16 61 53 01 00 00 90 4C 16 61 53 01 00 00 
{280} normal block at 0x0000015361169150, 16 bytes long.
 Data: <@&#196; aS           > 40 C4 16 61 53 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000015361169380, 16 bytes long.
 Data: < &#196; aS           > 18 C4 16 61 53 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000153611659B0, 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 0x0000015361168F20, 16 bytes long.
 Data: <&#240;&#195; aS           > F0 C3 16 61 53 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000015361165470, 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 0x00000153611690B0, 16 bytes long.
 Data: <8&#195; aS           > 38 C3 16 61 53 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000015361168E80, 16 bytes long.
 Data: < &#195; aS           > 10 C3 16 61 53 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000015361169D30, 16 bytes long.
 Data: <&#232;&#194; aS           > E8 C2 16 61 53 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000015361169A10, 16 bytes long.
 Data: <&#192;&#194; aS           > C0 C2 16 61 53 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000015361169060, 16 bytes long.
 Data: < &#194; aS           > 98 C2 16 61 53 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000153611699C0, 16 bytes long.
 Data: <p&#194; aS           > 70 C2 16 61 53 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000153611694C0, 16 bytes long.
 Data: <@s aS           > 40 73 16 61 53 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015361167340, 40 bytes long.
 Data: <&#192;&#148; aS   &#224;*&#222;bS   > C0 94 16 61 53 01 00 00 E0 2A DE 62 53 01 00 00 
{266} normal block at 0x0000015361169010, 16 bytes long.
 Data: <P&#194; aS           > 50 C2 16 61 53 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000015361169920, 16 bytes long.
 Data: <(&#194; aS           > 28 C2 16 61 53 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000015361165110, 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 0x0000015361168E30, 16 bytes long.
 Data: < &#194; aS           > 00 C2 16 61 53 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001536116C200, 992 bytes long.
 Data: <0&#142; aS    Q aS   > 30 8E 16 61 53 01 00 00 10 51 16 61 53 01 00 00 
{98} normal block at 0x0000015361164ED0, 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 0x0000015361169BA0, 16 bytes long.
 Data: <&#240;q aS           > F0 71 16 61 53 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x00000153611671F0, 40 bytes long.
 Data: <&#160;&#155; aS   &#208;N aS   > A0 9B 16 61 53 01 00 00 D0 4E 16 61 53 01 00 00 
{75} normal block at 0x0000015361169740, 16 bytes long.
 Data: < &#234;6b&#246;           > 80 EA 36 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001536115DD50, 16 bytes long.
 Data: <@&#233;6b&#246;           > 40 E9 36 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001536115DCB0, 16 bytes long.
 Data: <&#248;W3b&#246;           > F8 57 33 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001536115DC60, 16 bytes long.
 Data: <&#216;W3b&#246;           > D8 57 33 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001536115DB20, 16 bytes long.
 Data: <P 3b&#246;           > 50 04 33 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001536115DAD0, 16 bytes long.
 Data: <0 3b&#246;           > 30 04 33 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001536115DA80, 16 bytes long.
 Data: <&#224; 3b&#246;           > E0 02 33 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001536115DA30, 16 bytes long.
 Data: <  3b&#246;           > 10 04 33 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001536115D8F0, 16 bytes long.
 Data: <p 3b&#246;           > 70 04 33 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001536115D8A0, 16 bytes long.
 Data: < &#192;1b&#246;           > 18 C0 31 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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