Task 38680680
| Name | test_665-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND8929_0 |
| Workunit | 31622389 |
| Created | 27 Oct 2026, 0:50:53 UTC |
| Sent | 27 Oct 2026, 0:50:56 UTC |
| Report deadline | 1 Nov 2026, 0:50:56 UTC |
| Received | 27 Oct 2026, 2:16:41 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 464557 |
| Run time | 27 min 7 sec |
| CPU time | 26 min 37 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 | 682.11 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>
01:52:10 (9412): wrapper (7.9.26016): starting
01:52:10 (9412): 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
01:52:11 (9412): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:52:11 (9412): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835152} normal block at 0x00000242AFBB8650, 8 bytes long.
Data: < W B > 00 00 57 B1 42 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833950} normal block at 0x00000242B1808A30, 1080 bytes long.
Data: < ' > B8 27 00 00 CD CD CD CD 88 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000242AFBC3850, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
02:20:29 (13540): wrapper (7.9.26016): starting
02:20:29 (13540): 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
02:47:32 (13540): C:/Windows/system32/cmd.exe exited; CPU time 1597.984375
02:47:32 (13540): 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: 19686852 bytes.
Dumping objects ->
{1591} normal block at 0x0000023A3261DE00, 48 bytes long.
Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72
{1580} normal block at 0x0000023A3261DD90, 48 bytes long.
Data: <HOME=C:\BOINC\Pr> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72
{1569} normal block at 0x0000023A3261DF50, 48 bytes long.
Data: <TMP=C:\BOINC\Pro> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 6F
{1558} normal block at 0x0000023A3261DD20, 48 bytes long.
Data: <TEMP=C:\BOINC\Pr> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72
{1547} normal block at 0x0000023A3261DCB0, 48 bytes long.
Data: <TMPDIR=C:\BOINC\> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 5C
{1516} normal block at 0x0000023A326069B0, 64 bytes long.
Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72
{1505} normal block at 0x0000023A32623E90, 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) : {1502} normal block at 0x0000023A32623BF0, 8 bytes long.
Data: < ]2: > 00 00 5D 32 3A 02 00 00
{898} normal block at 0x0000023A3260B110, 160 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{301} normal block at 0x0000023A32623920, 8 bytes long.
Data: <`Db2: > 60 44 62 32 3A 02 00 00
{292} normal block at 0x0000023A32606300, 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 0x0000023A32623740, 16 bytes long.
Data: <hCb2: > 68 43 62 32 3A 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000023A326232E0, 16 bytes long.
Data: <@Cb2: > 40 43 62 32 3A 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000023A3261C4F0, 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 0x0000023A32623C90, 16 bytes long.
Data: < Cb2: > 18 43 62 32 3A 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000023A32623790, 16 bytes long.
Data: < Bb2: > F0 42 62 32 3A 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000023A32623B00, 16 bytes long.
Data: < Bb2: > C8 42 62 32 3A 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000023A32623BA0, 16 bytes long.
Data: < Bb2: > A0 42 62 32 3A 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000023A3261E260, 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 0x0000023A32623DD0, 16 bytes long.
Data: < b`2: > 98 62 60 32 3A 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000023A3261BB90, 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 0x0000023A32623510, 16 bytes long.
Data: <pb`2: > 70 62 60 32 3A 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000023A32623C40, 16 bytes long.
Data: <Hb`2: > 48 62 60 32 3A 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000023A326236F0, 16 bytes long.
Data: < b`2: > 20 62 60 32 3A 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000023A326231A0, 16 bytes long.
Data: < a`2: > F8 61 60 32 3A 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000023A326234C0, 16 bytes long.
Data: < a`2: > D0 61 60 32 3A 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000023A32623650, 16 bytes long.
Data: < a`2: > A8 61 60 32 3A 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000023A3261C730, 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 0x0000023A32623470, 16 bytes long.
Data: < a`2: > 80 61 60 32 3A 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000023A32606180, 320 bytes long.
Data: <p4b2: 0 a2: > 70 34 62 32 3A 02 00 00 30 C7 61 32 3A 02 00 00
{271} normal block at 0x0000023A326236A0, 16 bytes long.
Data: < Bb2: > 80 42 62 32 3A 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000023A32623060, 16 bytes long.
Data: <XBb2: > 58 42 62 32 3A 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000023A3261C8B0, 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 0x0000023A326239C0, 16 bytes long.
Data: <0Bb2: > 30 42 62 32 3A 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000023A3261BFB0, 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 0x0000023A32623330, 16 bytes long.
Data: <xAb2: > 78 41 62 32 3A 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000023A32623600, 16 bytes long.
Data: <PAb2: > 50 41 62 32 3A 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000023A32623A10, 16 bytes long.
Data: <(Ab2: > 28 41 62 32 3A 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000023A32623D80, 16 bytes long.
Data: < Ab2: > 00 41 62 32 3A 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000023A326238D0, 16 bytes long.
Data: < @b2: > D8 40 62 32 3A 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000023A32623A60, 16 bytes long.
Data: < @b2: > B0 40 62 32 3A 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000023A32623970, 16 bytes long.
Data: < a2: > A0 E0 61 32 3A 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000023A3261E0A0, 40 bytes long.
Data: <p9b2: i`2: > 70 39 62 32 3A 02 00 00 B0 69 60 32 3A 02 00 00
{257} normal block at 0x0000023A32623240, 16 bytes long.
Data: < @b2: > 90 40 62 32 3A 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000023A326231F0, 16 bytes long.
Data: <h@b2: > 68 40 62 32 3A 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000023A3261C6D0, 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 0x0000023A32623E20, 16 bytes long.
Data: <@@b2: > 40 40 62 32 3A 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000023A32624040, 992 bytes long.
Data: < >b2: a2: > 20 3E 62 32 3A 02 00 00 D0 C6 61 32 3A 02 00 00
{89} normal block at 0x0000023A3261BDD0, 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 0x0000023A32617600, 16 bytes long.
Data: <@ a2: > 40 DC 61 32 3A 02 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x0000023A3261DC40, 40 bytes long.
Data: < va2: a2: > 00 76 61 32 3A 02 00 00 D0 BD 61 32 3A 02 00 00
{66} normal block at 0x0000023A32616DE0, 16 bytes long.
Data: < > 80 EA EE E0 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000023A32617AB0, 16 bytes long.
Data: <@ > 40 E9 EE E0 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000023A32617970, 16 bytes long.
Data: < W > F8 57 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000023A32617C90, 16 bytes long.
Data: < W > D8 57 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000023A32616F20, 16 bytes long.
Data: <P > 50 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000023A32617330, 16 bytes long.
Data: <0 > 30 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000023A32616E80, 16 bytes long.
Data: < > E0 02 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000023A32617C40, 16 bytes long.
Data: < > 10 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000023A326174C0, 16 bytes long.
Data: <p > 70 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000023A32617BF0, 16 bytes long.
Data: < > 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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