Task 38675430

Name test_386-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND0089_0
Workunit 31617403
Created 26 Oct 2026, 8:14:23 UTC
Sent 26 Oct 2026, 8:14:30 UTC
Report deadline 31 Oct 2026, 8:14:30 UTC
Received 26 Oct 2026, 9:41:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653812
Run time 35 min
CPU time 35 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,195.29 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 771.36 MB
Peak swap size 8.43 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
09:05:24 (9032): wrapper (7.9.26016): starting
09:05:24 (9032): 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
09:05:25 (9032): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:05:25 (9032): 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\27\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\27\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
09:41:12 (9032): C:/Windows/system32/cmd.exe exited; CPU time 2100.453125
09:41:12 (9032): 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: 43323259 bytes.
Dumping objects ->
{3835519} normal block at 0x0000023DA5A2AE10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835508} normal block at 0x0000023DA3C65610, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835497} normal block at 0x0000023DA3C65370, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835486} normal block at 0x0000023DA3C65990, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x0000023DA3C658B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835444} normal block at 0x0000023DA5A1C470, 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) : {3835431} normal block at 0x0000023DA3C5B6A0, 8 bytes long.
 Data: <  &#193;&#163;=   > 00 00 C1 A3 3D 02 00 00 
{3833969} normal block at 0x0000023DA3C5AB10, 8 bytes long.
 Data: <&#160;A&#167;&#165;=   > A0 41 A7 A5 3D 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000023DA3C62470, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000023DA3C56880, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000023DA3C663B0, 16 bytes long.
 Data: < m&#198;&#163;=           > 88 6D C6 A3 3D 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000023DA3C66090, 16 bytes long.
 Data: <`m&#198;&#163;=           > 60 6D C6 A3 3D 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000023DA3C5F110, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000023DA3C666D0, 16 bytes long.
 Data: <8m&#198;&#163;=           > 38 6D C6 A3 3D 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000023DA3C66220, 16 bytes long.
 Data: < m&#198;&#163;=           > 10 6D C6 A3 3D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023DA3C65BE0, 16 bytes long.
 Data: <&#232;l&#198;&#163;=           > E8 6C C6 A3 3D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000023DA3C66630, 16 bytes long.
 Data: <&#192;l&#198;&#163;=           > C0 6C C6 A3 3D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023DA3C65450, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000023DA3C65AF0, 16 bytes long.
 Data: <&#168;&#150;&#197;&#163;=           > A8 96 C5 A3 3D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023DA3C5EED0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000023DA3C665E0, 16 bytes long.
 Data: < &#150;&#197;&#163;=           > 80 96 C5 A3 3D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023DA3C66590, 16 bytes long.
 Data: <X&#150;&#197;&#163;=           > 58 96 C5 A3 3D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023DA3C668B0, 16 bytes long.
 Data: <0&#150;&#197;&#163;=           > 30 96 C5 A3 3D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023DA3C65AA0, 16 bytes long.
 Data: < &#150;&#197;&#163;=           > 08 96 C5 A3 3D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023DA3C65FF0, 16 bytes long.
 Data: <&#224;&#149;&#197;&#163;=           > E0 95 C5 A3 3D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023DA3C66720, 16 bytes long.
 Data: <&#184;&#149;&#197;&#163;=           > B8 95 C5 A3 3D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023DA3C5EC90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000023DA3C66040, 16 bytes long.
 Data: < &#149;&#197;&#163;=           > 90 95 C5 A3 3D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023DA3C59590, 320 bytes long.
 Data: <@`&#198;&#163;=    &#236;&#197;&#163;=   > 40 60 C6 A3 3D 02 00 00 90 EC C5 A3 3D 02 00 00 
{280} normal block at 0x0000023DA3C65F50, 16 bytes long.
 Data: <&#160;l&#198;&#163;=           > A0 6C C6 A3 3D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023DA3C66360, 16 bytes long.
 Data: <xl&#198;&#163;=           > 78 6C C6 A3 3D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023DA3C5F470, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000023DA3C66180, 16 bytes long.
 Data: <Pl&#198;&#163;=           > 50 6C C6 A3 3D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023DA3C5F050, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000023DA3C65F00, 16 bytes long.
 Data: < k&#198;&#163;=           > 98 6B C6 A3 3D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023DA3C65E60, 16 bytes long.
 Data: <pk&#198;&#163;=           > 70 6B C6 A3 3D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023DA3C669F0, 16 bytes long.
 Data: <Hk&#198;&#163;=           > 48 6B C6 A3 3D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023DA3C65E10, 16 bytes long.
 Data: < k&#198;&#163;=           > 20 6B C6 A3 3D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023DA3C65D70, 16 bytes long.
 Data: <&#248;j&#198;&#163;=           > F8 6A C6 A3 3D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023DA3C66770, 16 bytes long.
 Data: <&#208;j&#198;&#163;=           > D0 6A C6 A3 3D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023DA3C66400, 16 bytes long.
 Data: < V&#198;&#163;=           > 80 56 C6 A3 3D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023DA3C65680, 40 bytes long.
 Data: < d&#198;&#163;=   p&#196; &#165;=   > 00 64 C6 A3 3D 02 00 00 70 C4 A1 A5 3D 02 00 00 
{266} normal block at 0x0000023DA3C669A0, 16 bytes long.
 Data: <&#176;j&#198;&#163;=           > B0 6A C6 A3 3D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023DA3C664F0, 16 bytes long.
 Data: < j&#198;&#163;=           > 88 6A C6 A3 3D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023DA3C5F4D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000023DA3C65DC0, 16 bytes long.
 Data: <`j&#198;&#163;=           > 60 6A C6 A3 3D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023DA3C66A60, 992 bytes long.
 Data: <&#192;]&#198;&#163;=   &#208;&#244;&#197;&#163;=   > C0 5D C6 A3 3D 02 00 00 D0 F4 C5 A3 3D 02 00 00 
{98} normal block at 0x0000023DA3C5F0B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000023DA3C5AC00, 16 bytes long.
 Data: <p&#216;&#196;&#163;=           > 70 D8 C4 A3 3D 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000023DA3C4D870, 40 bytes long.
 Data: < &#172;&#197;&#163;=   &#176;&#240;&#197;&#163;=   > 00 AC C5 A3 3D 02 00 00 B0 F0 C5 A3 3D 02 00 00 
{75} normal block at 0x0000023DA3C5B150, 16 bytes long.
 Data: < &#234; W&#247;           > 80 EA B2 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000023DA3C5B0B0, 16 bytes long.
 Data: <@&#233; W&#247;           > 40 E9 B2 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000023DA3C5A980, 16 bytes long.
 Data: <&#248;W&#175;W&#247;           > F8 57 AF 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000023DA3C5B420, 16 bytes long.
 Data: <&#216;W&#175;W&#247;           > D8 57 AF 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000023DA3C5AF70, 16 bytes long.
 Data: <P &#175;W&#247;           > 50 04 AF 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000023DA3C5B2E0, 16 bytes long.
 Data: <0 &#175;W&#247;           > 30 04 AF 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000023DA3C5AAC0, 16 bytes long.
 Data: <&#224; &#175;W&#247;           > E0 02 AF 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023DA3C5AA20, 16 bytes long.
 Data: <  &#175;W&#247;           > 10 04 AF 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023DA3C5AED0, 16 bytes long.
 Data: <p &#175;W&#247;           > 70 04 AF 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023DA3C5B290, 16 bytes long.
 Data: < &#192;&#173;W&#247;           > 18 C0 AD 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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