Task 38679502

Name test_654-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND4306_0
Workunit 31621274
Created 26 Oct 2026, 20:47:10 UTC
Sent 26 Oct 2026, 20:47:17 UTC
Report deadline 31 Oct 2026, 20:47:17 UTC
Received 26 Oct 2026, 21:30:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 464557
Run time 28 min 17 sec
CPU time 26 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,072.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 677.00 MB
Peak swap size 3.75 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
22:02:19 (8560): wrapper (7.9.26016): starting
22:02:19 (8560): 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
22:02:20 (8560): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:02:20 (8560): 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:\BOINC\ProgramData\slots\2\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:\BOINC\ProgramData\slots\2\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
22:29:34 (8560): C:/Windows/system32/cmd.exe exited; CPU time 1612.468750
22:29:34 (8560): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 20019201 bytes.
Dumping objects ->
{3835241} normal block at 0x0000018937100B00, 48 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835230} normal block at 0x0000018937101890, 48 bytes long.
 Data: <HOME=C:\BOINC\Pr> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835219} normal block at 0x0000018937100F60, 48 bytes long.
 Data: <TMP=C:\BOINC\Pro> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 6F 
{3835208} normal block at 0x0000018937101190, 48 bytes long.
 Data: <TEMP=C:\BOINC\Pr> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835197} normal block at 0x0000018937101900, 48 bytes long.
 Data: <TMPDIR=C:\BOINC\> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 5C 
{3835166} normal block at 0x00000189371ADE90, 64 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835155} normal block at 0x0000018937120CD0, 160 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) : {3835152} normal block at 0x00000189355F7A00, 8 bytes long.
 Data: <  &#249;6&#137;   > 00 00 F9 36 89 01 00 00 
{3834548} normal block at 0x0000018937120B10, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x00000189355F7410, 8 bytes long.
 Data: <`&#158; 7&#137;   > 60 9E 20 37 89 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000018935603C80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000189355E6300, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x0000018935604AE0, 16 bytes long.
 Data: <x]`5&#137;           > 78 5D 60 35 89 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000189356053F0, 16 bytes long.
 Data: <P]`5&#137;           > 50 5D 60 35 89 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000189355FBAE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x00000189356053A0, 16 bytes long.
 Data: <(]`5&#137;           > 28 5D 60 35 89 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018935604A90, 16 bytes long.
 Data: < ]`5&#137;           > 00 5D 60 35 89 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018935604E00, 16 bytes long.
 Data: <&#216;\`5&#137;           > D8 5C 60 35 89 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000189356050D0, 16 bytes long.
 Data: <&#176;\`5&#137;           > B0 5C 60 35 89 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000189355FDEA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x00000189356058A0, 16 bytes long.
 Data: < b^5&#137;           > 98 62 5E 35 89 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000189355FBCC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x0000018935605120, 16 bytes long.
 Data: <pb^5&#137;           > 70 62 5E 35 89 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018935605710, 16 bytes long.
 Data: <Hb^5&#137;           > 48 62 5E 35 89 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018935604F40, 16 bytes long.
 Data: < b^5&#137;           > 20 62 5E 35 89 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018935605850, 16 bytes long.
 Data: <&#248;a^5&#137;           > F8 61 5E 35 89 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018935605350, 16 bytes long.
 Data: <&#208;a^5&#137;           > D0 61 5E 35 89 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018935605990, 16 bytes long.
 Data: <&#168;a^5&#137;           > A8 61 5E 35 89 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000189355FBDE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x0000018935604EF0, 16 bytes long.
 Data: < a^5&#137;           > 80 61 5E 35 89 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000189355E6180, 320 bytes long.
 Data: <&#240;N`5&#137;   &#224;&#189;_5&#137;   > F0 4E 60 35 89 01 00 00 E0 BD 5F 35 89 01 00 00 
{271} normal block at 0x0000018935605490, 16 bytes long.
 Data: < \`5&#137;           > 90 5C 60 35 89 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018935605670, 16 bytes long.
 Data: <h\`5&#137;           > 68 5C 60 35 89 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000189355FC6E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x00000189356057B0, 16 bytes long.
 Data: <@\`5&#137;           > 40 5C 60 35 89 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000189355FC320, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x0000018935605620, 16 bytes long.
 Data: < [`5&#137;           > 88 5B 60 35 89 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018935604DB0, 16 bytes long.
 Data: <`[`5&#137;           > 60 5B 60 35 89 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000189356059E0, 16 bytes long.
 Data: <8[`5&#137;           > 38 5B 60 35 89 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000018935604D60, 16 bytes long.
 Data: < [`5&#137;           > 10 5B 60 35 89 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018935605300, 16 bytes long.
 Data: <&#232;Z`5&#137;           > E8 5A 60 35 89 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018935605580, 16 bytes long.
 Data: <&#192;Z`5&#137;           > C0 5A 60 35 89 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000018935604E50, 16 bytes long.
 Data: <p&#220;_5&#137;           > 70 DC 5F 35 89 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000189355FDC70, 40 bytes long.
 Data: <PN`5&#137;    &#222; 7&#137;   > 50 4E 60 35 89 01 00 00 90 DE 1A 37 89 01 00 00 
{257} normal block at 0x0000018935604D10, 16 bytes long.
 Data: <&#160;Z`5&#137;           > A0 5A 60 35 89 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000018935605260, 16 bytes long.
 Data: <xZ`5&#137;           > 78 5A 60 35 89 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000189355FC7A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x00000189356055D0, 16 bytes long.
 Data: <PZ`5&#137;           > 50 5A 60 35 89 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000018935605A50, 992 bytes long.
 Data: <&#208;U`5&#137;   &#160;&#199;_5&#137;   > D0 55 60 35 89 01 00 00 A0 C7 5F 35 89 01 00 00 
{89} normal block at 0x00000189355FC680, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x00000189355F7140, 16 bytes long.
 Data: <&#192;&#221;_5&#137;           > C0 DD 5F 35 89 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x00000189355FDDC0, 40 bytes long.
 Data: <@q_5&#137;    &#198;_5&#137;   > 40 71 5F 35 89 01 00 00 80 C6 5F 35 89 01 00 00 
{66} normal block at 0x00000189355F7370, 16 bytes long.
 Data: < &#234;&#238;&#224;&#247;           > 80 EA EE E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000189355F7230, 16 bytes long.
 Data: <@&#233;&#238;&#224;&#247;           > 40 E9 EE E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000189355F7550, 16 bytes long.
 Data: <&#248;W&#235;&#224;&#247;           > F8 57 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000189355F7B40, 16 bytes long.
 Data: <&#216;W&#235;&#224;&#247;           > D8 57 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000189355F7000, 16 bytes long.
 Data: <P &#235;&#224;&#247;           > 50 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000189355F77D0, 16 bytes long.
 Data: <0 &#235;&#224;&#247;           > 30 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000189355F6F10, 16 bytes long.
 Data: <&#224; &#235;&#224;&#247;           > E0 02 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000189355F6CE0, 16 bytes long.
 Data: <  &#235;&#224;&#247;           > 10 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000189355F74B0, 16 bytes long.
 Data: <p &#235;&#224;&#247;           > 70 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000189355F7190, 16 bytes long.
 Data: < &#192;&#233;&#224;&#247;           > 18 C0 E9 E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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