Task 38669175

Name test_833-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND1803_0
Workunit 31611556
Created 25 Oct 2026, 13:52:41 UTC
Sent 25 Oct 2026, 13:52:46 UTC
Report deadline 30 Oct 2026, 13:52:46 UTC
Received 25 Oct 2026, 15:37:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625376
Run time 33 min 44 sec
CPU time 32 min 23 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,184.41 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 708.55 MB
Peak swap size 3.54 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:04:18 (13716): wrapper (7.9.26016): starting
23:04:18 (13716): 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
23:04:20 (13716): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:04:20 (13716): 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 'D:\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 'D:\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
23:37:07 (13716): C:/Windows/system32/cmd.exe exited; CPU time 1943.859375
23:37:07 (13716): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 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: 25582065 bytes.
Dumping objects ->
{3835056} normal block at 0x00000130E15F25E0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835045} normal block at 0x00000130E15F27A0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835034} normal block at 0x00000130E15F2490, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835023} normal block at 0x00000130E15F21F0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835012} normal block at 0x00000130DFA6B280, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3834981} normal block at 0x00000130E166B340, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3834970} normal block at 0x00000130DFA68330, 200 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) : {3834967} normal block at 0x00000130DFA66DB0, 8 bytes long.
 Data: <  V&#225;0   > 00 00 56 E1 30 01 00 00 
{3834466} normal block at 0x00000130DFA69A90, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x00000130DFA669F0, 8 bytes long.
 Data: <@zp&#225;0   > 40 7A 70 E1 30 01 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x00000130DFA721D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000130DFA55B00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x00000130DFA73670, 16 bytes long.
 Data: <&#200;B&#167;&#223;0           > C8 42 A7 DF 30 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000130DFA73E40, 16 bytes long.
 Data: <&#160;B&#167;&#223;0           > A0 42 A7 DF 30 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000130DFA6D750, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x00000130DFA735D0, 16 bytes long.
 Data: <xB&#167;&#223;0           > 78 42 A7 DF 30 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000130DFA73620, 16 bytes long.
 Data: <PB&#167;&#223;0           > 50 42 A7 DF 30 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000130DFA73490, 16 bytes long.
 Data: <(B&#167;&#223;0           > 28 42 A7 DF 30 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000130DFA73940, 16 bytes long.
 Data: < B&#167;&#223;0           > 00 42 A7 DF 30 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000130DFA6B130, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x00000130DFA73440, 16 bytes long.
 Data: < Z&#165;&#223;0           > 98 5A A5 DF 30 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000130DFA6D450, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x00000130DFA733F0, 16 bytes long.
 Data: <pZ&#165;&#223;0           > 70 5A A5 DF 30 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000130DFA733A0, 16 bytes long.
 Data: <HZ&#165;&#223;0           > 48 5A A5 DF 30 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000130DFA734E0, 16 bytes long.
 Data: < Z&#165;&#223;0           > 20 5A A5 DF 30 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000130DFA73300, 16 bytes long.
 Data: <&#248;Y&#165;&#223;0           > F8 59 A5 DF 30 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000130DFA732B0, 16 bytes long.
 Data: <&#208;Y&#165;&#223;0           > D0 59 A5 DF 30 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000130DFA73030, 16 bytes long.
 Data: <&#168;Y&#165;&#223;0           > A8 59 A5 DF 30 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000130DFA6DF90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{269} normal block at 0x00000130DFA731C0, 16 bytes long.
 Data: < Y&#165;&#223;0           > 80 59 A5 DF 30 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000130DFA55980, 320 bytes long.
 Data: <&#192;1&#167;&#223;0    &#223;&#166;&#223;0   > C0 31 A7 DF 30 01 00 00 90 DF A6 DF 30 01 00 00 
{267} normal block at 0x00000130DFA73DF0, 16 bytes long.
 Data: <&#224;A&#167;&#223;0           > E0 41 A7 DF 30 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000130DFA738F0, 16 bytes long.
 Data: <&#184;A&#167;&#223;0           > B8 41 A7 DF 30 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000130DFA6D8D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x00000130DFA73530, 16 bytes long.
 Data: < A&#167;&#223;0           > 90 41 A7 DF 30 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000130DFA6DB10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x00000130DFA73BC0, 16 bytes long.
 Data: <&#216;@&#167;&#223;0           > D8 40 A7 DF 30 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000130DFA73850, 16 bytes long.
 Data: <&#176;@&#167;&#223;0           > B0 40 A7 DF 30 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000130DFA73350, 16 bytes long.
 Data: < @&#167;&#223;0           > 88 40 A7 DF 30 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000130DFA73D50, 16 bytes long.
 Data: <`@&#167;&#223;0           > 60 40 A7 DF 30 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000130DFA738A0, 16 bytes long.
 Data: <8@&#167;&#223;0           > 38 40 A7 DF 30 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000130DFA736C0, 16 bytes long.
 Data: < @&#167;&#223;0           > 10 40 A7 DF 30 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000130DFA73D00, 16 bytes long.
 Data: <p&#175;&#166;&#223;0           > 70 AF A6 DF 30 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000130DFA6AF70, 40 bytes long.
 Data: < =&#167;&#223;0   @&#179;f&#225;0   > 00 3D A7 DF 30 01 00 00 40 B3 66 E1 30 01 00 00 
{253} normal block at 0x00000130DFA73170, 16 bytes long.
 Data: <&#240;?&#167;&#223;0           > F0 3F A7 DF 30 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000130DFA73C60, 16 bytes long.
 Data: <&#200;?&#167;&#223;0           > C8 3F A7 DF 30 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000130DFA6DA50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x00000130DFA73C10, 16 bytes long.
 Data: <&#160;?&#167;&#223;0           > A0 3F A7 DF 30 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x00000130DFA73FA0, 992 bytes long.
 Data: < <&#167;&#223;0   P&#218;&#166;&#223;0   > 10 3C A7 DF 30 01 00 00 50 DA A6 DF 30 01 00 00 
{85} normal block at 0x00000130DFA6D270, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x00000130DFA669A0, 16 bytes long.
 Data: <&#240;&#178;&#166;&#223;0           > F0 B2 A6 DF 30 01 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x00000130DFA6B2F0, 40 bytes long.
 Data: <&#160;i&#166;&#223;0   p&#210;&#166;&#223;0   > A0 69 A6 DF 30 01 00 00 70 D2 A6 DF 30 01 00 00 
{62} normal block at 0x00000130DFA66D10, 16 bytes long.
 Data: < &#234;54&#247;           > 80 EA 35 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000130DFA66FE0, 16 bytes long.
 Data: <@&#233;54&#247;           > 40 E9 35 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000130DFA665E0, 16 bytes long.
 Data: <&#248;W24&#247;           > F8 57 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000130DFA67120, 16 bytes long.
 Data: <&#216;W24&#247;           > D8 57 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000130DFA66860, 16 bytes long.
 Data: <P 24&#247;           > 50 04 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000130DFA66BD0, 16 bytes long.
 Data: <0 24&#247;           > 30 04 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000130DFA667C0, 16 bytes long.
 Data: <&#224; 24&#247;           > E0 02 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000130DFA66A40, 16 bytes long.
 Data: <  24&#247;           > 10 04 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000130DFA66900, 16 bytes long.
 Data: <p 24&#247;           > 70 04 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x00000130DFA66630, 16 bytes long.
 Data: < &#192;04&#247;           > 18 C0 30 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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