Task 38683798

Name test_464-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND5424_0
Workunit 31625343
Created 27 Oct 2026, 13:21:28 UTC
Sent 27 Oct 2026, 13:21:29 UTC
Report deadline 1 Nov 2026, 13:21:29 UTC
Received 27 Oct 2026, 14:02:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 637164
Run time 25 min 21 sec
CPU time 24 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,356.59 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 794.37 MB
Peak swap size 25.12 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
08:37:37 (24696): wrapper (7.9.26016): starting
08:37:37 (24696): 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
08:37:38 (24696): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:37:38 (24696): 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\121\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\121\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
09:01:54 (24696): C:/Windows/system32/cmd.exe exited; CPU time 1467.015625
09:01:54 (24696): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 40663337 bytes.
Dumping objects ->
{3835321} normal block at 0x00000235CC4156B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835310} normal block at 0x00000235CC415B10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835299} normal block at 0x00000235CC416210, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835288} normal block at 0x00000235CC4161A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835277} normal block at 0x00000235CC415AA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835246} normal block at 0x00000235CC41CC80, 64 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 0x00000235CC47EF70, 102 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) : {3835232} normal block at 0x00000235CA58FF80, 8 bytes long.
 Data: <  S&#202;5   > 00 00 53 CA 35 02 00 00 
{3834580} normal block at 0x00000235CC47F180, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x00000235CA5903E0, 8 bytes long.
 Data: <&#176;RL&#204;5   > B0 52 4C CC 35 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000235CA586640, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000235CA587370, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000235CA596330, 16 bytes long.
 Data: <HiY&#202;5           > 48 69 59 CA 35 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000235CA595D40, 16 bytes long.
 Data: < iY&#202;5           > 20 69 59 CA 35 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000235CA590BA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000235CA595DE0, 16 bytes long.
 Data: <&#248;hY&#202;5           > F8 68 59 CA 35 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000235CA596470, 16 bytes long.
 Data: <&#208;hY&#202;5           > D0 68 59 CA 35 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000235CA5961A0, 16 bytes long.
 Data: <&#168;hY&#202;5           > A8 68 59 CA 35 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000235CA596150, 16 bytes long.
 Data: < hY&#202;5           > 80 68 59 CA 35 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000235CA593E70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000235CA5963D0, 16 bytes long.
 Data: <x&#250;W&#202;5           > 78 FA 57 CA 35 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000235CA5914A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000235CA595CA0, 16 bytes long.
 Data: <P&#250;W&#202;5           > 50 FA 57 CA 35 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000235CA595E30, 16 bytes long.
 Data: <(&#250;W&#202;5           > 28 FA 57 CA 35 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000235CA595750, 16 bytes long.
 Data: < &#250;W&#202;5           > 00 FA 57 CA 35 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000235CA595F20, 16 bytes long.
 Data: <&#216;&#249;W&#202;5           > D8 F9 57 CA 35 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000235CA596290, 16 bytes long.
 Data: <&#176;&#249;W&#202;5           > B0 F9 57 CA 35 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000235CA5957A0, 16 bytes long.
 Data: < &#249;W&#202;5           > 88 F9 57 CA 35 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000235CA591260, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000235CA595930, 16 bytes long.
 Data: <`&#249;W&#202;5           > 60 F9 57 CA 35 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000235CA57F960, 320 bytes long.
 Data: <0YY&#202;5   ` Y&#202;5   > 30 59 59 CA 35 02 00 00 60 12 59 CA 35 02 00 00 
{277} normal block at 0x00000235CA596420, 16 bytes long.
 Data: <`hY&#202;5           > 60 68 59 CA 35 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000235CA595F70, 16 bytes long.
 Data: <8hY&#202;5           > 38 68 59 CA 35 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000235CA5916E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000235CA5956B0, 16 bytes long.
 Data: < hY&#202;5           > 10 68 59 CA 35 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000235CA590B40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000235CA595AC0, 16 bytes long.
 Data: <XgY&#202;5           > 58 67 59 CA 35 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000235CA595660, 16 bytes long.
 Data: <0gY&#202;5           > 30 67 59 CA 35 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000235CA596100, 16 bytes long.
 Data: < gY&#202;5           > 08 67 59 CA 35 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000235CA5960B0, 16 bytes long.
 Data: <&#224;fY&#202;5           > E0 66 59 CA 35 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000235CA595A20, 16 bytes long.
 Data: <&#184;fY&#202;5           > B8 66 59 CA 35 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000235CA596060, 16 bytes long.
 Data: < fY&#202;5           > 90 66 59 CA 35 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000235CA5962E0, 16 bytes long.
 Data: <&#160;9Y&#202;5           > A0 39 59 CA 35 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000235CA5939A0, 40 bytes long.
 Data: <&#224;bY&#202;5    &#204;A&#204;5   > E0 62 59 CA 35 02 00 00 80 CC 41 CC 35 02 00 00 
{263} normal block at 0x00000235CA596560, 16 bytes long.
 Data: <pfY&#202;5           > 70 66 59 CA 35 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000235CA5964C0, 16 bytes long.
 Data: <HfY&#202;5           > 48 66 59 CA 35 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000235CA590FC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000235CA5961F0, 16 bytes long.
 Data: < fY&#202;5           > 20 66 59 CA 35 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000235CA596620, 992 bytes long.
 Data: <&#240;aY&#202;5   &#192; Y&#202;5   > F0 61 59 CA 35 02 00 00 C0 0F 59 CA 35 02 00 00 
{95} normal block at 0x00000235CA591140, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000235CA590520, 16 bytes long.
 Data: < >Y&#202;5           > 00 3E 59 CA 35 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000235CA593E00, 40 bytes long.
 Data: <  Y&#202;5   @ Y&#202;5   > 20 05 59 CA 35 02 00 00 40 11 59 CA 35 02 00 00 
{72} normal block at 0x00000235CA590610, 16 bytes long.
 Data: < &#234;&#215;t&#246;           > 80 EA D7 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000235CA5907F0, 16 bytes long.
 Data: <@&#233;&#215;t&#246;           > 40 E9 D7 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000235CA590160, 16 bytes long.
 Data: <&#248;W&#212;t&#246;           > F8 57 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000235CA58F8F0, 16 bytes long.
 Data: <&#216;W&#212;t&#246;           > D8 57 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000235CA58FCB0, 16 bytes long.
 Data: <P &#212;t&#246;           > 50 04 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000235CA5905C0, 16 bytes long.
 Data: <0 &#212;t&#246;           > 30 04 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000235CA58FBC0, 16 bytes long.
 Data: <&#224; &#212;t&#246;           > E0 02 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000235CA58F990, 16 bytes long.
 Data: <  &#212;t&#246;           > 10 04 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000235CA5906B0, 16 bytes long.
 Data: <p &#212;t&#246;           > 70 04 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000235CA58FF30, 16 bytes long.
 Data: < &#192;&#210;t&#246;           > 18 C0 D2 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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