Task 38579636

Name t1_7-SFARR_TEST_ATM_12_2025-4-5-RND5365_0
Workunit 31544990
Created 11 Dec 2025, 3:32:23 UTC
Sent 11 Dec 2025, 3:32:29 UTC
Report deadline 16 Dec 2025, 3:32:29 UTC
Received 11 Dec 2025, 5:35:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618719
Run time 2 hours 0 min 29 sec
CPU time 1 hours 53 min 52 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 4,538.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 638.01 MB
Peak swap size 2.20 GB
Peak disk usage 3.71 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
04:38:21 (9600): wrapper (7.9.26016): starting
04:38:21 (9600): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12_sys.xml
nodefile
run.bat
run.sh
04:38:27 (9600): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:38:27 (9600): 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\4\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\4\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
06:34:41 (9600): C:/Windows/system32/cmd.exe exited; CPU time 6832.937500
06:34:41 (9600): called boinc_finish(0)
0 bytes in 0 Free Blocks.
546 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: 75693499 bytes.
Dumping objects ->
{3835246} normal block at 0x000001DD872214B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x000001DD87221A60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x000001DD87221BB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835213} normal block at 0x000001DD87221910, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835202} normal block at 0x000001DD872219F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835171} normal block at 0x000001DD872EBB90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835160} normal block at 0x000001DD85916920, 145 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) : {3835156} normal block at 0x000001DD858B0590, 8 bytes long.
 Data: <  &#133;&#133;&#221;   > 00 00 85 85 DD 01 00 00 
{3834545} normal block at 0x000001DD85916370, 145 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x000001DD858B0680, 8 bytes long.
 Data: <&#176;o4&#135;&#221;   > B0 6F 34 87 DD 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001DD858B0990, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001DD8589AEE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000001DD858A5F40, 16 bytes long.
 Data: <&#184; &#139;&#133;&#221;           > B8 1F 8B 85 DD 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001DD858A6670, 16 bytes long.
 Data: <  &#139;&#133;&#221;           > 90 1F 8B 85 DD 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001DD858AC260, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000001DD858A63A0, 16 bytes long.
 Data: <h &#139;&#133;&#221;           > 68 1F 8B 85 DD 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001DD858A63F0, 16 bytes long.
 Data: <@ &#139;&#133;&#221;           > 40 1F 8B 85 DD 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001DD858A6300, 16 bytes long.
 Data: <  &#139;&#133;&#221;           > 18 1F 8B 85 DD 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001DD858A6210, 16 bytes long.
 Data: <&#240; &#139;&#133;&#221;           > F0 1E 8B 85 DD 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001DD858AABC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000001DD858A6080, 16 bytes long.
 Data: <x&#189;&#138;&#133;&#221;           > 78 BD 8A 85 DD 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001DD858AC080, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000001DD858A6620, 16 bytes long.
 Data: <P&#189;&#138;&#133;&#221;           > 50 BD 8A 85 DD 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001DD858A5EF0, 16 bytes long.
 Data: <(&#189;&#138;&#133;&#221;           > 28 BD 8A 85 DD 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001DD858A6760, 16 bytes long.
 Data: < &#189;&#138;&#133;&#221;           > 00 BD 8A 85 DD 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001DD858A5D60, 16 bytes long.
 Data: <&#216;&#188;&#138;&#133;&#221;           > D8 BC 8A 85 DD 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001DD858B0180, 16 bytes long.
 Data: <&#176;&#188;&#138;&#133;&#221;           > B0 BC 8A 85 DD 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001DD858B0630, 16 bytes long.
 Data: < &#188;&#138;&#133;&#221;           > 88 BC 8A 85 DD 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001DD858ACCE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000001DD858B0130, 16 bytes long.
 Data: <`&#188;&#138;&#133;&#221;           > 60 BC 8A 85 DD 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001DD858ABC60, 320 bytes long.
 Data: <0 &#139;&#133;&#221;   &#224;&#204;&#138;&#133;&#221;   > 30 01 8B 85 DD 01 00 00 E0 CC 8A 85 DD 01 00 00 
{268} normal block at 0x000001DD858B00E0, 16 bytes long.
 Data: <&#208; &#139;&#133;&#221;           > D0 1E 8B 85 DD 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001DD858B0720, 16 bytes long.
 Data: <&#168; &#139;&#133;&#221;           > A8 1E 8B 85 DD 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001DD858AC440, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000001DD858B06D0, 16 bytes long.
 Data: <  &#139;&#133;&#221;           > 80 1E 8B 85 DD 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001DD858ACBC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000001DD858B04F0, 16 bytes long.
 Data: <&#200; &#139;&#133;&#221;           > C8 1D 8B 85 DD 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001DD858B04A0, 16 bytes long.
 Data: <&#160; &#139;&#133;&#221;           > A0 1D 8B 85 DD 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001DD858B0450, 16 bytes long.
 Data: <x &#139;&#133;&#221;           > 78 1D 8B 85 DD 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001DD858B03B0, 16 bytes long.
 Data: <P &#139;&#133;&#221;           > 50 1D 8B 85 DD 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001DD858B0360, 16 bytes long.
 Data: <( &#139;&#133;&#221;           > 28 1D 8B 85 DD 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001DD858B07C0, 16 bytes long.
 Data: <  &#139;&#133;&#221;           > 00 1D 8B 85 DD 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001DD858B0090, 16 bytes long.
 Data: <0&#172;&#138;&#133;&#221;           > 30 AC 8A 85 DD 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001DD858AAC30, 40 bytes long.
 Data: <  &#139;&#133;&#221;    &#187;.&#135;&#221;   > 90 00 8B 85 DD 01 00 00 90 BB 2E 87 DD 01 00 00 
{254} normal block at 0x000001DD858B02C0, 16 bytes long.
 Data: <&#224; &#139;&#133;&#221;           > E0 1C 8B 85 DD 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001DD858B0220, 16 bytes long.
 Data: <&#184; &#139;&#133;&#221;           > B8 1C 8B 85 DD 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001DD858AC320, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000001DD858B0540, 16 bytes long.
 Data: <  &#139;&#133;&#221;           > 90 1C 8B 85 DD 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001DD858B1C90, 992 bytes long.
 Data: <@ &#139;&#133;&#221;    &#195;&#138;&#133;&#221;   > 40 05 8B 85 DD 01 00 00 20 C3 8A 85 DD 01 00 00 
{86} normal block at 0x000001DD858ACD40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000001DD858A6800, 16 bytes long.
 Data: <p&#170;&#138;&#133;&#221;           > 70 AA 8A 85 DD 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001DD858AAA70, 40 bytes long.
 Data: < h&#138;&#133;&#221;   @&#205;&#138;&#133;&#221;   > 00 68 8A 85 DD 01 00 00 40 CD 8A 85 DD 01 00 00 
{63} normal block at 0x000001DD858A67B0, 16 bytes long.
 Data: < &#234;BQ&#246;           > 80 EA 42 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001DD858A60D0, 16 bytes long.
 Data: <@&#233;BQ&#246;           > 40 E9 42 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001DD858A6850, 16 bytes long.
 Data: <&#248;W?Q&#246;           > F8 57 3F 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001DD858A6B70, 16 bytes long.
 Data: <&#216;W?Q&#246;           > D8 57 3F 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001DD858A68A0, 16 bytes long.
 Data: <P ?Q&#246;           > 50 04 3F 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001DD858A5F90, 16 bytes long.
 Data: <0 ?Q&#246;           > 30 04 3F 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001DD858A68F0, 16 bytes long.
 Data: <&#224; ?Q&#246;           > E0 02 3F 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001DD858A6170, 16 bytes long.
 Data: <  ?Q&#246;           > 10 04 3F 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001DD858A5FE0, 16 bytes long.
 Data: <p ?Q&#246;           > 70 04 3F 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001DD858A64E0, 16 bytes long.
 Data: < &#192;=Q&#246;           > 18 C0 3D 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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