Task 38676492

Name test_556-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND0069_0
Workunit 31618400
Created 26 Oct 2026, 11:28:07 UTC
Sent 26 Oct 2026, 11:28:16 UTC
Report deadline 31 Oct 2026, 11:28:16 UTC
Received 26 Oct 2026, 12:33:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 527233
Run time 1 hours 4 min 27 sec
CPU time 1 hours 0 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 694.25 MB
Peak swap size 6.85 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:29:22 (7608): wrapper (7.9.26016): starting
07:29:22 (7608): 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
07:29:23 (7608): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:29:23 (7608): 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\14\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\14\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
08:32:50 (7608): C:/Windows/system32/cmd.exe exited; CPU time 3656.031250
08:32:50 (7608): 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: 48205689 bytes.
Dumping objects ->
{3835219} normal block at 0x0000024347A7AA00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x0000024347A7A840, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x0000024347A7B1E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x0000024347A7B410, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x0000024345F5C380, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x0000024347AC2140, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x0000024347ADC520, 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) : {3835130} normal block at 0x0000024345F57520, 8 bytes long.
 Data: <  &#239;EC   > 00 00 EF 45 43 02 00 00 
{3834526} normal block at 0x0000024347ADD230, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x0000024345F577F0, 8 bytes long.
 Data: <&#208;)&#181;GC   > D0 29 B5 47 43 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000024345F60E40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024345F4AD00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x0000024345F62380, 16 bytes long.
 Data: < D&#246;EC           > 88 44 F6 45 43 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024345F61ED0, 16 bytes long.
 Data: <`D&#246;EC           > 60 44 F6 45 43 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024345F5D430, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x0000024345F62650, 16 bytes long.
 Data: <8D&#246;EC           > 38 44 F6 45 43 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024345F62920, 16 bytes long.
 Data: < D&#246;EC           > 10 44 F6 45 43 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024345F62830, 16 bytes long.
 Data: <&#232;C&#246;EC           > E8 43 F6 45 43 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024345F62010, 16 bytes long.
 Data: <&#192;C&#246;EC           > C0 43 F6 45 43 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024345F5C460, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x0000024345F62100, 16 bytes long.
 Data: < \&#244;EC           > 08 5C F4 45 43 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024345F5DEB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000024345F621F0, 16 bytes long.
 Data: <&#224;[&#244;EC           > E0 5B F4 45 43 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024345F62B50, 16 bytes long.
 Data: <&#184;[&#244;EC           > B8 5B F4 45 43 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024345F62600, 16 bytes long.
 Data: < [&#244;EC           > 90 5B F4 45 43 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024345F625B0, 16 bytes long.
 Data: <h[&#244;EC           > 68 5B F4 45 43 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024345F621A0, 16 bytes long.
 Data: <@[&#244;EC           > 40 5B F4 45 43 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024345F61E80, 16 bytes long.
 Data: < [&#244;EC           > 18 5B F4 45 43 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024345F5DAF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x0000024345F61F70, 16 bytes long.
 Data: <&#240;Z&#244;EC           > F0 5A F4 45 43 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024345F45AF0, 320 bytes long.
 Data: <p &#246;EC   &#240;&#218;&#245;EC   > 70 1F F6 45 43 02 00 00 F0 DA F5 45 43 02 00 00 
{268} normal block at 0x0000024345F61F20, 16 bytes long.
 Data: <&#160;C&#246;EC           > A0 43 F6 45 43 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024345F628D0, 16 bytes long.
 Data: <xC&#246;EC           > 78 43 F6 45 43 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024345F5DC70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x0000024345F62560, 16 bytes long.
 Data: <PC&#246;EC           > 50 43 F6 45 43 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024345F5DCD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x0000024345F61E30, 16 bytes long.
 Data: < B&#246;EC           > 98 42 F6 45 43 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024345F62330, 16 bytes long.
 Data: <pB&#246;EC           > 70 42 F6 45 43 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024345F61D90, 16 bytes long.
 Data: <HB&#246;EC           > 48 42 F6 45 43 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024345F626F0, 16 bytes long.
 Data: < B&#246;EC           > 20 42 F6 45 43 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024345F62740, 16 bytes long.
 Data: <&#248;A&#246;EC           > F8 41 F6 45 43 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024345F62CE0, 16 bytes long.
 Data: <&#208;A&#246;EC           > D0 41 F6 45 43 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000024345F62470, 16 bytes long.
 Data: <&#208;&#196;&#245;EC           > D0 C4 F5 45 43 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000024345F5C4D0, 40 bytes long.
 Data: <p$&#246;EC   @!&#172;GC   > 70 24 F6 45 43 02 00 00 40 21 AC 47 43 02 00 00 
{254} normal block at 0x0000024345F62B00, 16 bytes long.
 Data: <&#176;A&#246;EC           > B0 41 F6 45 43 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000024345F61DE0, 16 bytes long.
 Data: < A&#246;EC           > 88 41 F6 45 43 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000024345F5D370, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x0000024345F62420, 16 bytes long.
 Data: <`A&#246;EC           > 60 41 F6 45 43 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000024345F64160, 992 bytes long.
 Data: < $&#246;EC   p&#211;&#245;EC   > 20 24 F6 45 43 02 00 00 70 D3 F5 45 43 02 00 00 
{86} normal block at 0x0000024345F5DB50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x0000024345F577A0, 16 bytes long.
 Data: <p&#192;&#245;EC           > 70 C0 F5 45 43 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000024345F5C070, 40 bytes long.
 Data: <&#160;w&#245;EC   P&#219;&#245;EC   > A0 77 F5 45 43 02 00 00 50 DB F5 45 43 02 00 00 
{63} normal block at 0x0000024345F572F0, 16 bytes long.
 Data: < &#234;&#163;&#201;&#247;           > 80 EA A3 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024345F571B0, 16 bytes long.
 Data: <@&#233;&#163;&#201;&#247;           > 40 E9 A3 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024345F57C50, 16 bytes long.
 Data: <&#248;W&#160;&#201;&#247;           > F8 57 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000024345F57E30, 16 bytes long.
 Data: <&#216;W&#160;&#201;&#247;           > D8 57 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000024345F57C00, 16 bytes long.
 Data: <P &#160;&#201;&#247;           > 50 04 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000024345F574D0, 16 bytes long.
 Data: <0 &#160;&#201;&#247;           > 30 04 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000024345F57BB0, 16 bytes long.
 Data: <&#224; &#160;&#201;&#247;           > E0 02 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000024345F57610, 16 bytes long.
 Data: <  &#160;&#201;&#247;           > 10 04 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000024345F572A0, 16 bytes long.
 Data: <p &#160;&#201;&#247;           > 70 04 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000024345F57F70, 16 bytes long.
 Data: < &#192;&#158;&#201;&#247;           > 18 C0 9E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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