Task 38685532

Name test_810-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND7623_0
Workunit 31626996
Created 27 Oct 2026, 21:34:27 UTC
Sent 27 Oct 2026, 21:34:34 UTC
Report deadline 1 Nov 2026, 21:34:34 UTC
Received 27 Oct 2026, 22:44:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654854
Run time 34 min 38 sec
CPU time 33 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 739.51 MB
Peak swap size 12.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:09:47 (8912): wrapper (7.9.26016): starting
17:09:47 (8912): 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
17:09:48 (8912): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:09:48 (8912): 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\1\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\1\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
17:43:51 (8912): C:/Windows/system32/cmd.exe exited; CPU time 2005.562500
17:43:51 (8912): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 30295093 bytes.
Dumping objects ->
{3835546} normal block at 0x0000022FEAF7B5A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835535} normal block at 0x0000022FE9295A60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835524} normal block at 0x0000022FE92959F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835513} normal block at 0x0000022FE9295D70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835502} normal block at 0x0000022FE9295D00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835471} normal block at 0x0000022FEAF69D70, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x0000022FEAF7F100, 102 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) : {3835457} normal block at 0x0000022FE9290400, 8 bytes long.
 Data: <  "&#233;/   > 00 00 22 E9 2F 02 00 00 
{3834682} normal block at 0x0000022FEAF7F680, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000022FE928FA50, 8 bytes long.
 Data: <&#208;V&#252;&#234;/   > D0 56 FC EA 2F 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000022FE9292100, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022FE9280510, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000022FE9296A00, 16 bytes long.
 Data: <xt)&#233;/           > 78 74 29 E9 2F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022FE9296280, 16 bytes long.
 Data: <Pt)&#233;/           > 50 74 29 E9 2F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022FE92912D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000022FE92969B0, 16 bytes long.
 Data: <(t)&#233;/           > 28 74 29 E9 2F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022FE9296960, 16 bytes long.
 Data: < t)&#233;/           > 00 74 29 E9 2F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022FE9296D70, 16 bytes long.
 Data: <&#216;s)&#233;/           > D8 73 29 E9 2F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022FE92968C0, 16 bytes long.
 Data: <&#176;s)&#233;/           > B0 73 29 E9 2F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022FE9296010, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000022FE9296320, 16 bytes long.
 Data: <&#200; (&#233;/           > C8 15 28 E9 2F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022FE9291450, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000022FE9296EB0, 16 bytes long.
 Data: <&#160; (&#233;/           > A0 15 28 E9 2F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022FE9296F50, 16 bytes long.
 Data: <x (&#233;/           > 78 15 28 E9 2F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022FE9296E60, 16 bytes long.
 Data: <P (&#233;/           > 50 15 28 E9 2F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022FE9296E10, 16 bytes long.
 Data: <( (&#233;/           > 28 15 28 E9 2F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022FE9296D20, 16 bytes long.
 Data: <  (&#233;/           > 00 15 28 E9 2F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022FE9296DC0, 16 bytes long.
 Data: <&#216; (&#233;/           > D8 14 28 E9 2F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022FE92915D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000022FE9296870, 16 bytes long.
 Data: <&#176; (&#233;/           > B0 14 28 E9 2F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022FE92814B0, 320 bytes long.
 Data: <ph)&#233;/   &#208; )&#233;/   > 70 68 29 E9 2F 02 00 00 D0 15 29 E9 2F 02 00 00 
{274} normal block at 0x0000022FE9296500, 16 bytes long.
 Data: < s)&#233;/           > 90 73 29 E9 2F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022FE92965F0, 16 bytes long.
 Data: <hs)&#233;/           > 68 73 29 E9 2F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022FE92909D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000022FE92965A0, 16 bytes long.
 Data: <@s)&#233;/           > 40 73 29 E9 2F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022FE92916F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000022FE9296CD0, 16 bytes long.
 Data: < r)&#233;/           > 88 72 29 E9 2F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022FE9296910, 16 bytes long.
 Data: <`r)&#233;/           > 60 72 29 E9 2F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022FE9296730, 16 bytes long.
 Data: <8r)&#233;/           > 38 72 29 E9 2F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022FE92966E0, 16 bytes long.
 Data: < r)&#233;/           > 10 72 29 E9 2F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022FE92961E0, 16 bytes long.
 Data: <&#232;q)&#233;/           > E8 71 29 E9 2F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022FE9296B40, 16 bytes long.
 Data: <&#192;q)&#233;/           > C0 71 29 E9 2F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022FE9296820, 16 bytes long.
 Data: <P^)&#233;/           > 50 5E 29 E9 2F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022FE9295E50, 40 bytes long.
 Data: < h)&#233;/   p &#246;&#234;/   > 20 68 29 E9 2F 02 00 00 70 9D F6 EA 2F 02 00 00 
{260} normal block at 0x0000022FE92967D0, 16 bytes long.
 Data: <&#160;q)&#233;/           > A0 71 29 E9 2F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022FE9296FF0, 16 bytes long.
 Data: <xq)&#233;/           > 78 71 29 E9 2F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022FE9290AF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000022FE9296C80, 16 bytes long.
 Data: <Pq)&#233;/           > 50 71 29 E9 2F 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000022FE9297150, 992 bytes long.
 Data: < l)&#233;/   &#240; )&#233;/   > 80 6C 29 E9 2F 02 00 00 F0 0A 29 E9 2F 02 00 00 
{92} normal block at 0x0000022FE9291570, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000022FE9290450, 16 bytes long.
 Data: <@ (&#233;/           > 40 14 28 E9 2F 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000022FE9281440, 40 bytes long.
 Data: <P )&#233;/   p )&#233;/   > 50 04 29 E9 2F 02 00 00 70 15 29 E9 2F 02 00 00 
{69} normal block at 0x0000022FE9290310, 16 bytes long.
 Data: < &#234;&#159;&#186;&#246;           > 80 EA 9F BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022FE9290040, 16 bytes long.
 Data: <@&#233;&#159;&#186;&#246;           > 40 E9 9F BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022FE92904F0, 16 bytes long.
 Data: <&#248;W&#156;&#186;&#246;           > F8 57 9C BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022FE928FFF0, 16 bytes long.
 Data: <&#216;W&#156;&#186;&#246;           > D8 57 9C BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022FE928FE60, 16 bytes long.
 Data: <P &#156;&#186;&#246;           > 50 04 9C BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022FE928F960, 16 bytes long.
 Data: <0 &#156;&#186;&#246;           > 30 04 9C BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022FE9290590, 16 bytes long.
 Data: <&#224; &#156;&#186;&#246;           > E0 02 9C BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022FE9290270, 16 bytes long.
 Data: <  &#156;&#186;&#246;           > 10 04 9C BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022FE928FBE0, 16 bytes long.
 Data: <p &#156;&#186;&#246;           > 70 04 9C BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000022FE928FE10, 16 bytes long.
 Data: < &#192;&#154;&#186;&#246;           > 18 C0 9A BA F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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