Task 38687841

Name test_275-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND3284_0
Workunit 31629216
Created 28 Oct 2026, 10:06:11 UTC
Sent 28 Oct 2026, 10:06:15 UTC
Report deadline 2 Nov 2026, 10:06:15 UTC
Received 28 Oct 2026, 12:14:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623084
Run time 1 hours 7 min 49 sec
CPU time 1 hours 4 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,503.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.19 MB
Peak swap size 12.77 GB
Peak disk usage 3.27 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:06:50 (73644): wrapper (7.9.26016): starting
20:06:50 (73644): 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
20:06:51 (73644): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:06:51 (73644): 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\34\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\34\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
21:13:45 (73644): C:/Windows/system32/cmd.exe exited; CPU time 3883.593750
21:13:45 (73644): called boinc_finish(0)
0 bytes in 0 Free Blocks.
464 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: 67582389 bytes.
Dumping objects ->
{3835600} normal block at 0x000001EA9A62B3F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835589} normal block at 0x000001EA9A62B230, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835578} normal block at 0x000001EA9A62B1C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835567} normal block at 0x000001EA9A62AC80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835556} normal block at 0x000001EA9A62B380, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835525} normal block at 0x000001EA9C71C9D0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835514} normal block at 0x000001EA9C72FDA0, 104 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) : {3835511} normal block at 0x000001EA9A5FEE20, 8 bytes long.
 Data: <  W     > 00 00 57 9A EA 01 00 00 
{3834797} normal block at 0x000001EA9C7303D0, 104 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834105} normal block at 0x000001EA9A5FEE70, 8 bytes long.
 Data: < &#222;b     > E0 DE 62 9A EA 01 00 00 
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x000001EA9A6040C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x000001EA9A5F7F70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{308} normal block at 0x000001EA9A608010, 16 bytes long.
 Data: <  `             > 98 84 60 9A EA 01 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x000001EA9A607E80, 16 bytes long.
 Data: <p `             > 70 84 60 9A EA 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x000001EA9A600CE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{305} normal block at 0x000001EA9A607D40, 16 bytes long.
 Data: <H `             > 48 84 60 9A EA 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001EA9A607F20, 16 bytes long.
 Data: <  `             > 20 84 60 9A EA 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001EA9A607C50, 16 bytes long.
 Data: <  `             > F8 83 60 9A EA 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001EA9A608100, 16 bytes long.
 Data: <&#208; `             > D0 83 60 9A EA 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001EA9A601E40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{300} normal block at 0x000001EA9A607E30, 16 bytes long.
 Data: < o`             > 18 6F 60 9A EA 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001EA9A601160, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{298} normal block at 0x000001EA9A607930, 16 bytes long.
 Data: < n`             > F0 6E 60 9A EA 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001EA9A607750, 16 bytes long.
 Data: <&#200;n`             > C8 6E 60 9A EA 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001EA9A607CF0, 16 bytes long.
 Data: < n`             > A0 6E 60 9A EA 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001EA9A607340, 16 bytes long.
 Data: <xn`             > 78 6E 60 9A EA 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001EA9A6077F0, 16 bytes long.
 Data: <Pn`             > 50 6E 60 9A EA 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001EA9A607610, 16 bytes long.
 Data: <(n`             > 28 6E 60 9A EA 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001EA9A601A00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{290} normal block at 0x000001EA9A6072F0, 16 bytes long.
 Data: < n`             > 00 6E 60 9A EA 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EA9A606E00, 320 bytes long.
 Data: < r`       `     > F0 72 60 9A EA 01 00 00 00 1A 60 9A EA 01 00 00 
{288} normal block at 0x000001EA9A607CA0, 16 bytes long.
 Data: <&#176; `             > B0 83 60 9A EA 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EA9A607B10, 16 bytes long.
 Data: <  `             > 88 83 60 9A EA 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001EA9A601580, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{285} normal block at 0x000001EA9A6080B0, 16 bytes long.
 Data: <` `             > 60 83 60 9A EA 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EA9A601400, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{283} normal block at 0x000001EA9A6078E0, 16 bytes long.
 Data: <&#168; `             > A8 82 60 9A EA 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EA9A6077A0, 16 bytes long.
 Data: <  `             > 80 82 60 9A EA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EA9A607AC0, 16 bytes long.
 Data: <X `             > 58 82 60 9A EA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EA9A607480, 16 bytes long.
 Data: <0 `             > 30 82 60 9A EA 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EA9A607C00, 16 bytes long.
 Data: <  `             > 08 82 60 9A EA 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001EA9A607A70, 16 bytes long.
 Data: <  `             > E0 81 60 9A EA 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EA9A607B60, 16 bytes long.
 Data: < #`             > 80 23 60 9A EA 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001EA9A602380, 40 bytes long.
 Data: <`{`     &#208;&#201;q     > 60 7B 60 9A EA 01 00 00 D0 C9 71 9C EA 01 00 00 
{274} normal block at 0x000001EA9A6079D0, 16 bytes long.
 Data: <&#192; `             > C0 81 60 9A EA 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001EA9A607890, 16 bytes long.
 Data: <  `             > 98 81 60 9A EA 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001EA9A6019A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{271} normal block at 0x000001EA9A607700, 16 bytes long.
 Data: <p `             > 70 81 60 9A EA 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001EA9A608170, 992 bytes long.
 Data: < w`       `     > 00 77 60 9A EA 01 00 00 A0 19 60 9A EA 01 00 00 
{106} normal block at 0x000001EA9A601640, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{105} normal block at 0x000001EA9A5FF230, 16 bytes long.
 Data: <  `             > E0 20 60 9A EA 01 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x000001EA9A6020E0, 40 bytes long.
 Data: <0 _     @ `     > 30 F2 5F 9A EA 01 00 00 40 16 60 9A EA 01 00 00 
{81} normal block at 0x000001EA9A5FF1E0, 16 bytes long.
 Data: <  -&#202;            > 80 EA 2D CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000001EA9A5FF820, 16 bytes long.
 Data: <@ -&#202;            > 40 E9 2D CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000001EA9A5FF7D0, 16 bytes long.
 Data: < W*&#202;            > F8 57 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000001EA9A5FF8C0, 16 bytes long.
 Data: <&#216;W*&#202;            > D8 57 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001EA9A5FEC90, 16 bytes long.
 Data: <P *&#202;            > 50 04 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001EA9A5FEB50, 16 bytes long.
 Data: <0 *&#202;            > 30 04 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001EA9A5FEC40, 16 bytes long.
 Data: <  *&#202;            > E0 02 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001EA9A5FED30, 16 bytes long.
 Data: <  *&#202;            > 10 04 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001EA9A5FEB00, 16 bytes long.
 Data: <p *&#202;            > 70 04 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001EA9A5FF320, 16 bytes long.
 Data: < &#192;(&#202;            > 18 C0 28 CA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra