Task 38660433

Name test_904-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND2920_0
Workunit 31603939
Created 24 Oct 2026, 14:09:14 UTC
Sent 24 Oct 2026, 14:12:43 UTC
Report deadline 29 Oct 2026, 14:12:43 UTC
Received 24 Oct 2026, 16:02:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652341
Run time 52 min 57 sec
CPU time 37 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,346.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 688.63 MB
Peak swap size 2.36 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:11:41 (9328): wrapper (7.9.26016): starting
17:11:41 (9328): 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
17:11:44 (9328): Library/usr/bin/tar.exe exited; CPU time 0.109375
17:11:44 (9328): 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\0\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\0\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
18:02:34 (9328): C:/Windows/system32/cmd.exe exited; CPU time 2222.281250
18:02:34 (9328): 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: 34154743 bytes.
Dumping objects ->
{3835271} normal block at 0x0000018818C4CB20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835260} normal block at 0x0000018818C4CFF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835249} normal block at 0x0000018816EF4170, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835238} normal block at 0x0000018816EF4100, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x0000018816EF4020, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835196} normal block at 0x0000018818C95440, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x0000018818CAE100, 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) : {3835182} normal block at 0x0000018816EEDFD0, 8 bytes long.
 Data: <  8     > 00 00 38 17 88 01 00 00 
{3834562} normal block at 0x0000018818CAE730, 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 0x0000018816EEEA20, 8 bytes long.
 Data: < 9&#239;     > 90 39 EF 16 88 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000018816EF02C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000018816EE53E0, 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 0x0000018816EF55C0, 16 bytes long.
 Data: <&#200;\&#239;             > C8 5C EF 16 88 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018816EF4A80, 16 bytes long.
 Data: <&#160;\&#239;             > A0 5C EF 16 88 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018816EEF1B0, 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 0x0000018816EF4D50, 16 bytes long.
 Data: <x\&#239;             > 78 5C EF 16 88 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000018816EF4AD0, 16 bytes long.
 Data: <P\&#239;             > 50 5C EF 16 88 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000018816EF50C0, 16 bytes long.
 Data: <(\&#239;             > 28 5C EF 16 88 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018816EF52F0, 16 bytes long.
 Data: < \&#239;             > 00 5C EF 16 88 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018816EF4090, 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 0x0000018816EF5700, 16 bytes long.
 Data: <H&#180;&#237;             > 48 B4 ED 16 88 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018816EEF090, 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 0x0000018816EF5480, 16 bytes long.
 Data: < &#180;&#237;             > 20 B4 ED 16 88 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018816EF4A30, 16 bytes long.
 Data: <&#248;&#179;&#237;             > F8 B3 ED 16 88 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018816EF4C60, 16 bytes long.
 Data: <&#208;&#179;&#237;             > D0 B3 ED 16 88 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018816EF54D0, 16 bytes long.
 Data: <&#168;&#179;&#237;             > A8 B3 ED 16 88 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018816EF5110, 16 bytes long.
 Data: < &#179;&#237;             > 80 B3 ED 16 88 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018816EF5430, 16 bytes long.
 Data: <X&#179;&#237;             > 58 B3 ED 16 88 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018816EEEFD0, 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 0x0000018816EF5250, 16 bytes long.
 Data: <0&#179;&#237;             > 30 B3 ED 16 88 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018816EDB330, 320 bytes long.
 Data: <PR&#239;     &#208;&#239;&#238;     > 50 52 EF 16 88 01 00 00 D0 EF EE 16 88 01 00 00 
{274} normal block at 0x0000018816EF5930, 16 bytes long.
 Data: <&#224;[&#239;             > E0 5B EF 16 88 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018816EF5390, 16 bytes long.
 Data: <&#184;[&#239;             > B8 5B EF 16 88 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018816EEEF10, 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 0x0000018816EF4BC0, 16 bytes long.
 Data: < [&#239;             > 90 5B EF 16 88 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018816EEF210, 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 0x0000018816EF4EE0, 16 bytes long.
 Data: <&#216;Z&#239;             > D8 5A EF 16 88 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018816EF57F0, 16 bytes long.
 Data: <&#176;Z&#239;             > B0 5A EF 16 88 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018816EF4D00, 16 bytes long.
 Data: < Z&#239;             > 88 5A EF 16 88 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018816EF4B20, 16 bytes long.
 Data: <`Z&#239;             > 60 5A EF 16 88 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018816EF5340, 16 bytes long.
 Data: <8Z&#239;             > 38 5A EF 16 88 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018816EF5610, 16 bytes long.
 Data: < Z&#239;             > 10 5A EF 16 88 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018816EF49E0, 16 bytes long.
 Data: <PB&#239;             > 50 42 EF 16 88 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018816EF4250, 40 bytes long.
 Data: <&#224;I&#239;     @T&#201;     > E0 49 EF 16 88 01 00 00 40 54 C9 18 88 01 00 00 
{260} normal block at 0x0000018816EF5160, 16 bytes long.
 Data: <&#240;Y&#239;             > F0 59 EF 16 88 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000018816EF53E0, 16 bytes long.
 Data: <&#200;Y&#239;             > C8 59 EF 16 88 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000018816EEEE50, 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 0x0000018816EF52A0, 16 bytes long.
 Data: <&#160;Y&#239;             > A0 59 EF 16 88 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000018816EF59A0, 992 bytes long.
 Data: <&#160;R&#239;     P&#238;&#238;     > A0 52 EF 16 88 01 00 00 50 EE EE 16 88 01 00 00 
{92} normal block at 0x0000018816EEF870, 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 0x0000018816EEE2F0, 16 bytes long.
 Data: < &#222;&#237;             > 80 DE ED 16 88 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000018816EDDE80, 40 bytes long.
 Data: <&#240;&#226;&#238;     p&#248;&#238;     > F0 E2 EE 16 88 01 00 00 70 F8 EE 16 88 01 00 00 
{69} normal block at 0x0000018816EEDE40, 16 bytes long.
 Data: < &#234;&#246; &#246;           > 80 EA F6 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000018816EEE930, 16 bytes long.
 Data: <@&#233;&#246; &#246;           > 40 E9 F6 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000018816EEE0C0, 16 bytes long.
 Data: <&#248;W&#243; &#246;           > F8 57 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000018816EEE660, 16 bytes long.
 Data: <&#216;W&#243; &#246;           > D8 57 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000018816EEE1B0, 16 bytes long.
 Data: <P &#243; &#246;           > 50 04 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000018816EEDC60, 16 bytes long.
 Data: <0 &#243; &#246;           > 30 04 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000018816EEDE90, 16 bytes long.
 Data: <&#224; &#243; &#246;           > E0 02 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000018816EEE700, 16 bytes long.
 Data: <  &#243; &#246;           > 10 04 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000018816EEE390, 16 bytes long.
 Data: <p &#243; &#246;           > 70 04 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000018816EEE6B0, 16 bytes long.
 Data: < &#192;&#241; &#246;           > 18 C0 F1 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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