Task 38579635

Name t1_7-SFARR_TEST_ATM_12_2025-3-5-RND5365_0
Workunit 31544989
Created 11 Dec 2025, 1:28:20 UTC
Sent 11 Dec 2025, 1:28:23 UTC
Report deadline 16 Dec 2025, 1:28:23 UTC
Received 11 Dec 2025, 3:32:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618719
Run time 2 hours 1 min 6 sec
CPU time 1 hours 53 min 55 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 639.82 MB
Peak swap size 2.20 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
02:34:32 (7712): wrapper (7.9.26016): starting
02:34:32 (7712): 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
02:34:36 (7712): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:34:36 (7712): 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
04:31:11 (7712): C:/Windows/system32/cmd.exe exited; CPU time 6835.921875
04:31:11 (7712): 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: 76324503 bytes.
Dumping objects ->
{3835246} normal block at 0x000001649BD61C90, 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 0x000001649BD61EC0, 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 0x000001649BD61910, 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 0x000001649BD61AD0, 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 0x000001649BD61670, 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 0x000001649BE924D0, 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 0x000001649A30D5B0, 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 0x000001649A2C0EA0, 8 bytes long.
 Data: <  &#215;&#155;d   > 00 00 D7 9B 64 01 00 00 
{3834545} normal block at 0x000001649A30D0D0, 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 0x000001649A2C1120, 8 bytes long.
 Data: <p&#146;*&#154;d   > 70 92 2A 9A 64 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001649A2C1A60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001649A2AA6D0, 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 0x000001649A2B7010, 16 bytes long.
 Data: <H+,&#154;d           > 48 2B 2C 9A 64 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001649A2B6F70, 16 bytes long.
 Data: < +,&#154;d           > 20 2B 2C 9A 64 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001649A2BCB60, 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 0x000001649A2B6F20, 16 bytes long.
 Data: <&#248;*,&#154;d           > F8 2A 2C 9A 64 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001649A2B6E80, 16 bytes long.
 Data: <&#208;*,&#154;d           > D0 2A 2C 9A 64 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001649A2B76F0, 16 bytes long.
 Data: <&#168;*,&#154;d           > A8 2A 2C 9A 64 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001649A2B7380, 16 bytes long.
 Data: < *,&#154;d           > 80 2A 2C 9A 64 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001649A2BBC60, 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 0x000001649A2B6E30, 16 bytes long.
 Data: <H\*&#154;d           > 48 5C 2A 9A 64 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001649A2BCEC0, 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 0x000001649A2B7100, 16 bytes long.
 Data: < \*&#154;d           > 20 5C 2A 9A 64 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001649A2B6DE0, 16 bytes long.
 Data: <&#248;[*&#154;d           > F8 5B 2A 9A 64 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001649A2B6FC0, 16 bytes long.
 Data: <&#208;[*&#154;d           > D0 5B 2A 9A 64 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001649A2B7060, 16 bytes long.
 Data: <&#168;[*&#154;d           > A8 5B 2A 9A 64 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001649A2C12B0, 16 bytes long.
 Data: < [*&#154;d           > 80 5B 2A 9A 64 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001649A2C11C0, 16 bytes long.
 Data: <X[*&#154;d           > 58 5B 2A 9A 64 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001649A2BD280, 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 0x000001649A2C1170, 16 bytes long.
 Data: <0[*&#154;d           > 30 5B 2A 9A 64 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001649A2A5B30, 320 bytes long.
 Data: <p ,&#154;d    &#210;+&#154;d   > 70 11 2C 9A 64 01 00 00 80 D2 2B 9A 64 01 00 00 
{268} normal block at 0x000001649A2C1080, 16 bytes long.
 Data: <`*,&#154;d           > 60 2A 2C 9A 64 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001649A2C1260, 16 bytes long.
 Data: <8*,&#154;d           > 38 2A 2C 9A 64 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001649A2BD5E0, 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 0x000001649A2C0FE0, 16 bytes long.
 Data: < *,&#154;d           > 10 2A 2C 9A 64 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001649A2BCFE0, 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 0x000001649A2C0E00, 16 bytes long.
 Data: <X),&#154;d           > 58 29 2C 9A 64 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001649A2C0DB0, 16 bytes long.
 Data: <0),&#154;d           > 30 29 2C 9A 64 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001649A2C0E50, 16 bytes long.
 Data: < ),&#154;d           > 08 29 2C 9A 64 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001649A2C10D0, 16 bytes long.
 Data: <&#224;(,&#154;d           > E0 28 2C 9A 64 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001649A2C0C70, 16 bytes long.
 Data: <&#184;(,&#154;d           > B8 28 2C 9A 64 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001649A2C1210, 16 bytes long.
 Data: < (,&#154;d           > 90 28 2C 9A 64 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001649A2C0EF0, 16 bytes long.
 Data: <p&#184;+&#154;d           > 70 B8 2B 9A 64 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001649A2BB870, 40 bytes long.
 Data: <&#240; ,&#154;d   &#208;$&#233;&#155;d   > F0 0E 2C 9A 64 01 00 00 D0 24 E9 9B 64 01 00 00 
{254} normal block at 0x000001649A2C0D60, 16 bytes long.
 Data: <p(,&#154;d           > 70 28 2C 9A 64 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001649A2C0F90, 16 bytes long.
 Data: <H(,&#154;d           > 48 28 2C 9A 64 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001649A2BD580, 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 0x000001649A2C0F40, 16 bytes long.
 Data: < (,&#154;d           > 20 28 2C 9A 64 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001649A2C2820, 992 bytes long.
 Data: <@ ,&#154;d    &#213;+&#154;d   > 40 0F 2C 9A 64 01 00 00 80 D5 2B 9A 64 01 00 00 
{86} normal block at 0x000001649A2BCE60, 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 0x000001649A2B71A0, 16 bytes long.
 Data: <&#192;&#185;+&#154;d           > C0 B9 2B 9A 64 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001649A2BB9C0, 40 bytes long.
 Data: <&#160;q+&#154;d   `&#206;+&#154;d   > A0 71 2B 9A 64 01 00 00 60 CE 2B 9A 64 01 00 00 
{63} normal block at 0x000001649A2B7600, 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 0x000001649A2B6BB0, 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 0x000001649A2B6A70, 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 0x000001649A2B7830, 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 0x000001649A2B7420, 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 0x000001649A2B7240, 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 0x000001649A2B7790, 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 0x000001649A2B6A20, 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 0x000001649A2B75B0, 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 0x000001649A2B7560, 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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