Task 38689595

Name test_80-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND6853_0
Workunit 31630833
Created 28 Oct 2026, 22:04:30 UTC
Sent 28 Oct 2026, 22:04:41 UTC
Report deadline 2 Nov 2026, 22:04:41 UTC
Received 28 Oct 2026, 22:37:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618582
Run time 31 min 39 sec
CPU time 19 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 751.09 MB
Peak swap size 13.16 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:05:58 (27540): wrapper (7.9.26016): starting
15:05:58 (27540): 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
15:06:01 (27540): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:06:03 (27540): 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\30\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\30\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
15:36:42 (27540): C:/Windows/system32/cmd.exe exited; CPU time 1150.562500
15:36:42 (27540): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 21198377 bytes.
Dumping objects ->
{3835569} normal block at 0x00000160B096BC80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835558} normal block at 0x00000160AEB44740, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835547} normal block at 0x00000160AEB446D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835536} normal block at 0x00000160AEB44660, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835525} normal block at 0x00000160AEB445F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835494} normal block at 0x00000160B09BA5C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835483} normal block at 0x00000160B0A14680, 155 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) : {3835480} normal block at 0x00000160AEB3E720, 8 bytes long.
 Data: <   &#175;`   > 00 00 10 AF 60 01 00 00 
{3834699} normal block at 0x00000160B0A14840, 155 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x00000160AEB3E360, 8 bytes long.
 Data: <`K&#164;&#176;`   > 60 4B A4 B0 60 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000160AEB40790, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000160AEB356E0, 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 0x00000160AEB45B80, 16 bytes long.
 Data: < _&#180;&#174;`           > 18 5F B4 AE 60 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000160AEB454F0, 16 bytes long.
 Data: <&#240;^&#180;&#174;`           > F0 5E B4 AE 60 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000160AEB3F940, 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 0x00000160AEB45810, 16 bytes long.
 Data: <&#200;^&#180;&#174;`           > C8 5E B4 AE 60 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000160AEB44FA0, 16 bytes long.
 Data: <&#160;^&#180;&#174;`           > A0 5E B4 AE 60 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000160AEB45B30, 16 bytes long.
 Data: <x^&#180;&#174;`           > 78 5E B4 AE 60 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000160AEB44E60, 16 bytes long.
 Data: <P^&#180;&#174;`           > 50 5E B4 AE 60 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000160AEB44970, 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 0x00000160AEB457C0, 16 bytes long.
 Data: <x&#221;&#179;&#174;`           > 78 DD B3 AE 60 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000160AEB3FCA0, 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 0x00000160AEB454A0, 16 bytes long.
 Data: <P&#221;&#179;&#174;`           > 50 DD B3 AE 60 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000160AEB45AE0, 16 bytes long.
 Data: <(&#221;&#179;&#174;`           > 28 DD B3 AE 60 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000160AEB45630, 16 bytes long.
 Data: < &#221;&#179;&#174;`           > 00 DD B3 AE 60 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000160AEB44E10, 16 bytes long.
 Data: <&#216;&#220;&#179;&#174;`           > D8 DC B3 AE 60 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000160AEB45A40, 16 bytes long.
 Data: <&#176;&#220;&#179;&#174;`           > B0 DC B3 AE 60 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000160AEB45770, 16 bytes long.
 Data: < &#220;&#179;&#174;`           > 88 DC B3 AE 60 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000160AEB3F280, 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 0x00000160AEB459A0, 16 bytes long.
 Data: <`&#220;&#179;&#174;`           > 60 DC B3 AE 60 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000160AEB3DC60, 320 bytes long.
 Data: <&#160;Y&#180;&#174;`    &#242;&#179;&#174;`   > A0 59 B4 AE 60 01 00 00 80 F2 B3 AE 60 01 00 00 
{276} normal block at 0x00000160AEB45950, 16 bytes long.
 Data: <0^&#180;&#174;`           > 30 5E B4 AE 60 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000160AEB452C0, 16 bytes long.
 Data: < ^&#180;&#174;`           > 08 5E B4 AE 60 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000160AEB3F4C0, 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 0x00000160AEB459F0, 16 bytes long.
 Data: <&#224;]&#180;&#174;`           > E0 5D B4 AE 60 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000160AEB3F880, 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 0x00000160AEB45360, 16 bytes long.
 Data: <(]&#180;&#174;`           > 28 5D B4 AE 60 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000160AEB451D0, 16 bytes long.
 Data: < ]&#180;&#174;`           > 00 5D B4 AE 60 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000160AEB44DC0, 16 bytes long.
 Data: <&#216;\&#180;&#174;`           > D8 5C B4 AE 60 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000160AEB45A90, 16 bytes long.
 Data: <&#176;\&#180;&#174;`           > B0 5C B4 AE 60 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000160AEB45040, 16 bytes long.
 Data: < \&#180;&#174;`           > 88 5C B4 AE 60 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000160AEB456D0, 16 bytes long.
 Data: <`\&#180;&#174;`           > 60 5C B4 AE 60 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000160AEB45270, 16 bytes long.
 Data: < H&#180;&#174;`           > 90 48 B4 AE 60 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000160AEB44890, 40 bytes long.
 Data: <pR&#180;&#174;`   &#192;&#165;&#155;&#176;`   > 70 52 B4 AE 60 01 00 00 C0 A5 9B B0 60 01 00 00 
{262} normal block at 0x00000160AEB44F50, 16 bytes long.
 Data: <@\&#180;&#174;`           > 40 5C B4 AE 60 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000160AEB45310, 16 bytes long.
 Data: < \&#180;&#174;`           > 18 5C B4 AE 60 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000160AEB3F520, 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 0x00000160AEB45130, 16 bytes long.
 Data: <&#240;[&#180;&#174;`           > F0 5B B4 AE 60 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000160AEB45BF0, 992 bytes long.
 Data: <0Q&#180;&#174;`    &#245;&#179;&#174;`   > 30 51 B4 AE 60 01 00 00 20 F5 B3 AE 60 01 00 00 
{94} normal block at 0x00000160AEB3F220, 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 0x00000160AEB3E5E0, 16 bytes long.
 Data: <&#176;&#239;&#178;&#174;`           > B0 EF B2 AE 60 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000160AEB2EFB0, 40 bytes long.
 Data: <&#224;&#229;&#179;&#174;`    &#242;&#179;&#174;`   > E0 E5 B3 AE 60 01 00 00 20 F2 B3 AE 60 01 00 00 
{71} normal block at 0x00000160AEB3E400, 16 bytes long.
 Data: < &#234;9&#149;&#246;           > 80 EA 39 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000160AEB3E4A0, 16 bytes long.
 Data: <@&#233;9&#149;&#246;           > 40 E9 39 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000160AEB3E310, 16 bytes long.
 Data: <&#248;W6&#149;&#246;           > F8 57 36 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000160AEB3EB30, 16 bytes long.
 Data: <&#216;W6&#149;&#246;           > D8 57 36 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000160AEB3E3B0, 16 bytes long.
 Data: <P 6&#149;&#246;           > 50 04 36 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000160AEB3E860, 16 bytes long.
 Data: <0 6&#149;&#246;           > 30 04 36 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000160AEB3E9A0, 16 bytes long.
 Data: <&#224; 6&#149;&#246;           > E0 02 36 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000160AEB3E040, 16 bytes long.
 Data: <  6&#149;&#246;           > 10 04 36 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000160AEB3DFF0, 16 bytes long.
 Data: <p 6&#149;&#246;           > 70 04 36 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000160AEB3EB80, 16 bytes long.
 Data: < &#192;4&#149;&#246;           > 18 C0 34 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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