Task 38664794

Name test_292-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND6938_1
Workunit 31607893
Created 25 Oct 2026, 0:11:04 UTC
Sent 25 Oct 2026, 0:11:06 UTC
Report deadline 30 Oct 2026, 0:11:06 UTC
Received 25 Oct 2026, 19:37:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654842
Run time 6 hours 17 min 18 sec
CPU time 6 hours 17 min 18 sec
Validate state Valid
Credit 600,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 742.21 MB
Peak swap size 11.42 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:21:34 (18320): wrapper (7.9.26016): starting
15:21:34 (18320): 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
15:21:36 (18320): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:21:36 (18320): 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 'E:\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 'E:\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
21:35:27 (18320): C:/Windows/system32/cmd.exe exited; CPU time 22638.187500
21:35:27 (18320): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 333323429 bytes.
Dumping objects ->
{3835234} normal block at 0x000001ED686767B0, 48 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x000001ED68676EB0, 48 bytes long.
 Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000001ED68676C80, 48 bytes long.
 Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x000001ED68676C10, 48 bytes long.
 Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x000001ED686770E0, 48 bytes long.
 Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x000001ED6861BE40, 64 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x000001ED669DDC60, 160 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) : {3835145} normal block at 0x000001ED668F6500, 8 bytes long.
 Data: <   f&#237;   > 00 00 8D 66 ED 01 00 00 
{3834544} normal block at 0x000001ED669DE360, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x000001ED668F6AF0, 8 bytes long.
 Data: <p&#234;Wh&#237;   > 70 EA 57 68 ED 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001ED668FFDE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001ED668EA320, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x000001ED66901C30, 16 bytes long.
 Data: <h5 f&#237;           > 68 35 90 66 ED 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001ED669014B0, 16 bytes long.
 Data: <@5 f&#237;           > 40 35 90 66 ED 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001ED668FC9E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x000001ED66900FB0, 16 bytes long.
 Data: < 5 f&#237;           > 18 35 90 66 ED 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001ED66901B90, 16 bytes long.
 Data: <&#240;4 f&#237;           > F0 34 90 66 ED 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001ED669012D0, 16 bytes long.
 Data: <&#200;4 f&#237;           > C8 34 90 66 ED 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001ED66901D20, 16 bytes long.
 Data: <&#160;4 f&#237;           > A0 34 90 66 ED 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001ED668FB4F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x000001ED66901370, 16 bytes long.
 Data: <&#232;&#192; f&#237;           > E8 C0 8F 66 ED 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001ED668FC6E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x000001ED66901AA0, 16 bytes long.
 Data: <&#192;&#192; f&#237;           > C0 C0 8F 66 ED 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001ED66901A00, 16 bytes long.
 Data: < &#192; f&#237;           > 98 C0 8F 66 ED 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001ED66900F10, 16 bytes long.
 Data: <p&#192; f&#237;           > 70 C0 8F 66 ED 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001ED669011E0, 16 bytes long.
 Data: <H&#192; f&#237;           > 48 C0 8F 66 ED 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001ED66901960, 16 bytes long.
 Data: < &#192; f&#237;           > 20 C0 8F 66 ED 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001ED66901910, 16 bytes long.
 Data: <&#248;&#191; f&#237;           > F8 BF 8F 66 ED 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001ED668FCC20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x000001ED66901460, 16 bytes long.
 Data: <&#208;&#191; f&#237;           > D0 BF 8F 66 ED 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001ED668FBFD0, 320 bytes long.
 Data: <`  f&#237;    &#204; f&#237;   > 60 14 90 66 ED 01 00 00 20 CC 8F 66 ED 01 00 00 
{269} normal block at 0x000001ED669015F0, 16 bytes long.
 Data: < 4 f&#237;           > 80 34 90 66 ED 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001ED66901B40, 16 bytes long.
 Data: <X4 f&#237;           > 58 34 90 66 ED 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001ED668FC8C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x000001ED669013C0, 16 bytes long.
 Data: <04 f&#237;           > 30 34 90 66 ED 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001ED668FCAA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x000001ED66900F60, 16 bytes long.
 Data: <x3 f&#237;           > 78 33 90 66 ED 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001ED66901190, 16 bytes long.
 Data: <P3 f&#237;           > 50 33 90 66 ED 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001ED66901BE0, 16 bytes long.
 Data: <(3 f&#237;           > 28 33 90 66 ED 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001ED669018C0, 16 bytes long.
 Data: < 3 f&#237;           > 00 33 90 66 ED 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001ED66900EC0, 16 bytes long.
 Data: <&#216;2 f&#237;           > D8 32 90 66 ED 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001ED66901140, 16 bytes long.
 Data: <&#176;2 f&#237;           > B0 32 90 66 ED 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001ED669017D0, 16 bytes long.
 Data: <&#192;&#178; f&#237;           > C0 B2 8F 66 ED 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001ED668FB2C0, 40 bytes long.
 Data: <&#208;  f&#237;   @&#190;ah&#237;   > D0 17 90 66 ED 01 00 00 40 BE 61 68 ED 01 00 00 
{255} normal block at 0x000001ED66901280, 16 bytes long.
 Data: < 2 f&#237;           > 90 32 90 66 ED 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001ED66901780, 16 bytes long.
 Data: <h2 f&#237;           > 68 32 90 66 ED 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001ED668FC860, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x000001ED669016E0, 16 bytes long.
 Data: <@2 f&#237;           > 40 32 90 66 ED 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001ED66903240, 992 bytes long.
 Data: <&#224;  f&#237;   `&#200; f&#237;   > E0 16 90 66 ED 01 00 00 60 C8 8F 66 ED 01 00 00 
{87} normal block at 0x000001ED668FD220, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x000001ED668F6280, 16 bytes long.
 Data: < &#177; f&#237;           > 00 B1 8F 66 ED 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001ED668FB100, 40 bytes long.
 Data: < b f&#237;    &#210; f&#237;   > 80 62 8F 66 ED 01 00 00 20 D2 8F 66 ED 01 00 00 
{64} normal block at 0x000001ED668F6D70, 16 bytes long.
 Data: < &#234;&#207;&#208;&#247;           > 80 EA CF D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001ED668F6C30, 16 bytes long.
 Data: <@&#233;&#207;&#208;&#247;           > 40 E9 CF D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001ED668F7040, 16 bytes long.
 Data: <&#248;W&#204;&#208;&#247;           > F8 57 CC D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001ED668F6D20, 16 bytes long.
 Data: <&#216;W&#204;&#208;&#247;           > D8 57 CC D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001ED668F6140, 16 bytes long.
 Data: <P &#204;&#208;&#247;           > 50 04 CC D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001ED668F6A00, 16 bytes long.
 Data: <0 &#204;&#208;&#247;           > 30 04 CC D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001ED668F6E10, 16 bytes long.
 Data: <&#224; &#204;&#208;&#247;           > E0 02 CC D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001ED668F65F0, 16 bytes long.
 Data: <  &#204;&#208;&#247;           > 10 04 CC D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001ED668F6EB0, 16 bytes long.
 Data: <p &#204;&#208;&#247;           > 70 04 CC D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001ED668F6AA0, 16 bytes long.
 Data: < &#192;&#202;&#208;&#247;           > 18 C0 CA D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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