Task 38682009

Name test_179-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND6332_0
Workunit 31623648
Created 27 Oct 2026, 6:13:04 UTC
Sent 27 Oct 2026, 6:13:09 UTC
Report deadline 1 Nov 2026, 6:13:09 UTC
Received 27 Oct 2026, 8:17:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 644440
Run time 59 min 25 sec
CPU time 59 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 8,090.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 747.68 MB
Peak swap size 12.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
03:16:21 (35792): wrapper (7.9.26016): starting
03:16:21 (35792): 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
03:16:22 (35792): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:16:22 (35792): 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\32\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\32\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
04:16:24 (35792): C:/Windows/system32/cmd.exe exited; CPU time 3565.453125
04:16:24 (35792): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 92873189 bytes.
Dumping objects ->
{3835512} normal block at 0x00000200E1064290, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835501} normal block at 0x00000200DF287A90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835490} normal block at 0x00000200DF2879B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835479} normal block at 0x00000200DF287940, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x00000200DF2876A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835437} normal block at 0x00000200E10DCC50, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835424} normal block at 0x00000200DF2813B0, 8 bytes long.
 Data: <  z&#223;    > 00 00 7A DF 00 02 00 00 
{3833965} normal block at 0x00000200DF280EB0, 8 bytes long.
 Data: < ^ &#225;    > 20 5E 13 E1 00 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000200DF278490, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000200DF2795D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x00000200DF2889A0, 16 bytes long.
 Data: <h (&#223;            > 68 8F 28 DF 00 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000200DF287C80, 16 bytes long.
 Data: <@ (&#223;            > 40 8F 28 DF 00 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000200DF283460, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x00000200DF288860, 16 bytes long.
 Data: <  (&#223;            > 18 8F 28 DF 00 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000200DF288590, 16 bytes long.
 Data: <&#240;&#142;(&#223;            > F0 8E 28 DF 00 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000200DF288900, 16 bytes long.
 Data: <&#200;&#142;(&#223;            > C8 8E 28 DF 00 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000200DF288130, 16 bytes long.
 Data: <&#160;&#142;(&#223;            > A0 8E 28 DF 00 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000200DF287B00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x00000200DF287EB0, 16 bytes long.
 Data: <8 '&#223;            > 38 05 27 DF 00 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000200DF282B60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x00000200DF2880E0, 16 bytes long.
 Data: <  '&#223;            > 10 05 27 DF 00 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000200DF288450, 16 bytes long.
 Data: <&#232; '&#223;            > E8 04 27 DF 00 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000200DF2889F0, 16 bytes long.
 Data: <&#192; '&#223;            > C0 04 27 DF 00 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000200DF2885E0, 16 bytes long.
 Data: <  '&#223;            > 98 04 27 DF 00 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000200DF287F50, 16 bytes long.
 Data: <p '&#223;            > 70 04 27 DF 00 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000200DF288770, 16 bytes long.
 Data: <H '&#223;            > 48 04 27 DF 00 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000200DF283940, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x00000200DF288540, 16 bytes long.
 Data: <  '&#223;            > 20 04 27 DF 00 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000200DF270420, 320 bytes long.
 Data: <@&#133;(&#223;    @9(&#223;    > 40 85 28 DF 00 02 00 00 40 39 28 DF 00 02 00 00 
{278} normal block at 0x00000200DF288400, 16 bytes long.
 Data: < &#142;(&#223;            > 80 8E 28 DF 00 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000200DF2883B0, 16 bytes long.
 Data: <X&#142;(&#223;            > 58 8E 28 DF 00 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000200DF282E00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x00000200DF288630, 16 bytes long.
 Data: <0&#142;(&#223;            > 30 8E 28 DF 00 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000200DF283880, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x00000200DF2887C0, 16 bytes long.
 Data: <x (&#223;            > 78 8D 28 DF 00 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000200DF288360, 16 bytes long.
 Data: <P (&#223;            > 50 8D 28 DF 00 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000200DF2881D0, 16 bytes long.
 Data: <( (&#223;            > 28 8D 28 DF 00 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000200DF288310, 16 bytes long.
 Data: <  (&#223;            > 00 8D 28 DF 00 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000200DF288180, 16 bytes long.
 Data: <&#216;&#140;(&#223;            > D8 8C 28 DF 00 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000200DF288810, 16 bytes long.
 Data: <&#176;&#140;(&#223;            > B0 8C 28 DF 00 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000200DF287F00, 16 bytes long.
 Data: < z(&#223;            > 20 7A 28 DF 00 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000200DF287A20, 40 bytes long.
 Data: <  (&#223;    P&#204; &#225;    > 00 7F 28 DF 00 02 00 00 50 CC 0D E1 00 02 00 00 
{264} normal block at 0x00000200DF288B80, 16 bytes long.
 Data: < &#140;(&#223;            > 90 8C 28 DF 00 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000200DF2882C0, 16 bytes long.
 Data: <h&#140;(&#223;            > 68 8C 28 DF 00 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000200DF283760, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x00000200DF2888B0, 16 bytes long.
 Data: <@&#140;(&#223;            > 40 8C 28 DF 00 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000200DF288C40, 992 bytes long.
 Data: <&#176; (&#223;    `7(&#223;    > B0 88 28 DF 00 02 00 00 60 37 28 DF 00 02 00 00 
{96} normal block at 0x00000200DF2838E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x00000200DF280CD0, 16 bytes long.
 Data: < &#226;&&#223;            > 00 E2 26 DF 00 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000200DF26E200, 40 bytes long.
 Data: <&#208; (&#223;    &#224;8(&#223;    > D0 0C 28 DF 00 02 00 00 E0 38 28 DF 00 02 00 00 
{73} normal block at 0x00000200DF281400, 16 bytes long.
 Data: < &#234;a&#229;&#247;           > 80 EA 61 E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000200DF280C80, 16 bytes long.
 Data: <@&#233;a&#229;&#247;           > 40 E9 61 E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000200DF2815E0, 16 bytes long.
 Data: <&#248;W^&#229;&#247;           > F8 57 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000200DF280A00, 16 bytes long.
 Data: <&#216;W^&#229;&#247;           > D8 57 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000200DF2808C0, 16 bytes long.
 Data: <P ^&#229;&#247;           > 50 04 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000200DF280B90, 16 bytes long.
 Data: <0 ^&#229;&#247;           > 30 04 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000200DF281360, 16 bytes long.
 Data: <&#224; ^&#229;&#247;           > E0 02 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000200DF280E60, 16 bytes long.
 Data: <  ^&#229;&#247;           > 10 04 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000200DF281540, 16 bytes long.
 Data: <p ^&#229;&#247;           > 70 04 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000200DF281130, 16 bytes long.
 Data: < &#192;\&#229;&#247;           > 18 C0 5C E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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