Task 38688119

Name test_811-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND5245_0
Workunit 31629488
Created 28 Oct 2026, 11:48:14 UTC
Sent 28 Oct 2026, 11:48:24 UTC
Report deadline 2 Nov 2026, 11:48:24 UTC
Received 28 Oct 2026, 13:34:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623084
Run time 1 hours 7 min 50 sec
CPU time 1 hours 4 min 18 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 739.77 MB
Peak swap size 12.77 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:14:46 (9956): wrapper (7.9.26016): starting
21:14:46 (9956): 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
21:14:47 (9956): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:14:47 (9956): 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
22:21:40 (9956): C:/Windows/system32/cmd.exe exited; CPU time 3858.906250
22:21:40 (9956): 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: 68010231 bytes.
Dumping objects ->
{3835600} normal block at 0x000002014A2B9E80, 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 0x000002014A2B9A20, 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 0x000002014A2B9DA0, 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 0x000002014A2B9D30, 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 0x000002014A2B99B0, 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 0x000002014C2CB0B0, 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 0x000002014C2DF7C0, 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 0x000002014A28E600, 8 bytes long.
 Data: <  !J    > 00 00 21 4A 01 02 00 00 
{3834797} normal block at 0x000002014C2DF3A0, 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 0x000002014A28EE70, 8 bytes long.
 Data: <  6J    > 90 E5 36 4A 01 02 00 00 
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x000002014A293450, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x000002014A287520, 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 0x000002014A296580, 16 bytes long.
 Data: <xw)J            > 78 77 29 4A 01 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x000002014A2969E0, 16 bytes long.
 Data: <Pw)J            > 50 77 29 4A 01 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x000002014A2907F0, 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 0x000002014A2967B0, 16 bytes long.
 Data: <(w)J            > 28 77 29 4A 01 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000002014A296C10, 16 bytes long.
 Data: < w)J            > 00 77 29 4A 01 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000002014A296DA0, 16 bytes long.
 Data: <&#216;v)J            > D8 76 29 4A 01 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000002014A296D50, 16 bytes long.
 Data: <&#176;v)J            > B0 76 29 4A 01 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000002014A291820, 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 0x000002014A296C60, 16 bytes long.
 Data: <8 )J            > 38 01 29 4A 01 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002014A290790, 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 0x000002014A296FD0, 16 bytes long.
 Data: <  )J            > 10 01 29 4A 01 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002014A296DF0, 16 bytes long.
 Data: <  )J            > E8 00 29 4A 01 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002014A296F30, 16 bytes long.
 Data: <&#192; )J            > C0 00 29 4A 01 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002014A2971B0, 16 bytes long.
 Data: <  )J            > 98 00 29 4A 01 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002014A2972F0, 16 bytes long.
 Data: <p )J            > 70 00 29 4A 01 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002014A297070, 16 bytes long.
 Data: <H )J            > 48 00 29 4A 01 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002014A2908B0, 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 0x000002014A296CB0, 16 bytes long.
 Data: <  )J            > 20 00 29 4A 01 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002014A290020, 320 bytes long.
 Data: <&#176;l)J    &#176; )J    > B0 6C 29 4A 01 02 00 00 B0 08 29 4A 01 02 00 00 
{288} normal block at 0x000002014A2972A0, 16 bytes long.
 Data: < v)J            > 90 76 29 4A 01 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002014A296710, 16 bytes long.
 Data: <hv)J            > 68 76 29 4A 01 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002014A290850, 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 0x000002014A297390, 16 bytes long.
 Data: <@v)J            > 40 76 29 4A 01 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002014A290BB0, 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 0x000002014A296E90, 16 bytes long.
 Data: < u)J            > 88 75 29 4A 01 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002014A296800, 16 bytes long.
 Data: <`u)J            > 60 75 29 4A 01 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002014A296990, 16 bytes long.
 Data: <8u)J            > 38 75 29 4A 01 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002014A297020, 16 bytes long.
 Data: < u)J            > 10 75 29 4A 01 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002014A296F80, 16 bytes long.
 Data: < t)J            > E8 74 29 4A 01 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002014A2968A0, 16 bytes long.
 Data: <&#192;t)J            > C0 74 29 4A 01 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002014A296490, 16 bytes long.
 Data: <  )J            > 10 15 29 4A 01 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002014A291510, 40 bytes long.
 Data: < d)J    &#176;&#176;,L    > 90 64 29 4A 01 02 00 00 B0 B0 2C 4C 01 02 00 00 
{274} normal block at 0x000002014A296940, 16 bytes long.
 Data: < t)J            > A0 74 29 4A 01 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002014A296AD0, 16 bytes long.
 Data: <xt)J            > 78 74 29 4A 01 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002014A290AF0, 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 0x000002014A297340, 16 bytes long.
 Data: <Pt)J            > 50 74 29 4A 01 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002014A297450, 992 bytes long.
 Data: <@s)J      )J    > 40 73 29 4A 01 02 00 00 F0 0A 29 4A 01 02 00 00 
{106} normal block at 0x000002014A290B50, 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 0x000002014A28E880, 16 bytes long.
 Data: <` )J            > 60 16 29 4A 01 02 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x000002014A291660, 40 bytes long.
 Data: <  (J    P )J    > 80 E8 28 4A 01 02 00 00 50 0B 29 4A 01 02 00 00 
{81} normal block at 0x000002014A28E290, 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 0x000002014A28E3D0, 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 0x000002014A28E7E0, 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 0x000002014A28E510, 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 0x000002014A28ED80, 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 0x000002014A28E560, 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 0x000002014A28EB00, 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 0x000002014A28E380, 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 0x000002014A28E740, 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 0x000002014A28E330, 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>
]]>


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