Task 38687617
| Name | test_676-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND3088_0 |
| Workunit | 31629001 |
| Created | 28 Oct 2026, 8:46:25 UTC |
| Sent | 28 Oct 2026, 8:46:27 UTC |
| Report deadline | 2 Nov 2026, 8:46:27 UTC |
| Received | 28 Oct 2026, 12:08:01 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 650754 |
| Run time | 56 min 55 sec |
| CPU time | 56 min 51 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,332.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 697.72 MB |
| Peak swap size | 9.85 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
11:04:55 (7184): wrapper (7.9.26016): starting
11:04:55 (7184): 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
11:04:56 (7184): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:04:56 (7184): 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:\BOINCdata\slots\1\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:\BOINCdata\slots\1\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
12:01:02 (7184): C:/Windows/system32/cmd.exe exited; CPU time 3411.968750
12:01:02 (7184): 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: 40125217 bytes.
Dumping objects ->
{3835233} normal block at 0x00000282DB217480, 48 bytes long.
Data: <PATH=C:\BOINCdat> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 64 61 74
{3835222} normal block at 0x00000282DCE75080, 32 bytes long.
Data: <HOME=C:\BOINCdat> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 64 61 74
{3835211} normal block at 0x00000282DCE75560, 32 bytes long.
Data: <TMP=C:\BOINCdata> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 61
{3835200} normal block at 0x00000282DCE74A20, 32 bytes long.
Data: <TEMP=C:\BOINCdat> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 64 61 74
{3835189} normal block at 0x00000282DCE75B60, 32 bytes long.
Data: <TMPDIR=C:\BOINCd> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 64
{3835158} normal block at 0x00000282DB217720, 48 bytes long.
Data: <PATH=C:\BOINCdat> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 64 61 74
{3835147} normal block at 0x00000282DB1E97A0, 200 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) : {3835144} normal block at 0x00000282DB1E7860, 8 bytes long.
Data: < Û‚ > 00 00 1B DB 82 02 00 00
{3834547} normal block at 0x00000282DB1E9250, 200 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833947} normal block at 0x00000282DB1E72C0, 8 bytes long.
Data: <ðkìÜ‚ > F0 6B EC DC 82 02 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000282DB1F22F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000282DB1F3230, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x00000282DB1F3DD0, 16 bytes long.
Data: <ÈG Û‚ > C8 47 1F DB 82 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000282DB1F36A0, 16 bytes long.
Data: < G Û‚ > A0 47 1F DB 82 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000282DB1EE8C0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x00000282DB1F3510, 16 bytes long.
Data: <xG Û‚ > 78 47 1F DB 82 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000282DB1F3650, 16 bytes long.
Data: <PG Û‚ > 50 47 1F DB 82 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000282DB1F3F10, 16 bytes long.
Data: <(G Û‚ > 28 47 1F DB 82 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000282DB1F3470, 16 bytes long.
Data: < G Û‚ > 00 47 1F DB 82 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000282DB1EC5A0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x00000282DB1F33D0, 16 bytes long.
Data: <È1 Û‚ > C8 31 1F DB 82 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000282DB1EE860, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x00000282DB1F3740, 16 bytes long.
Data: < 1 Û‚ > A0 31 1F DB 82 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000282DB1F3380, 16 bytes long.
Data: <x1 Û‚ > 78 31 1F DB 82 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000282DB1F4000, 16 bytes long.
Data: <P1 Û‚ > 50 31 1F DB 82 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000282DB1F3600, 16 bytes long.
Data: <(1 Û‚ > 28 31 1F DB 82 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000282DB1F3830, 16 bytes long.
Data: < 1 Û‚ > 00 31 1F DB 82 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000282DB1F3420, 16 bytes long.
Data: <Ø0 Û‚ > D8 30 1F DB 82 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000282DB1EE800, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x00000282DB1F3D80, 16 bytes long.
Data: <°0 Û‚ > B0 30 1F DB 82 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000282DB1F30B0, 320 bytes long.
Data: < = Û‚ è Û‚ > 80 3D 1F DB 82 02 00 00 00 E8 1E DB 82 02 00 00
{269} normal block at 0x00000282DB1F3970, 16 bytes long.
Data: <àF Û‚ > E0 46 1F DB 82 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000282DB1F3330, 16 bytes long.
Data: <¸F Û‚ > B8 46 1F DB 82 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000282DB1EE9E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x00000282DB1F3BA0, 16 bytes long.
Data: < F Û‚ > 90 46 1F DB 82 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000282DB1EF040, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x00000282DB1F3920, 16 bytes long.
Data: <ØE Û‚ > D8 45 1F DB 82 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000282DB1F3D30, 16 bytes long.
Data: <°E Û‚ > B0 45 1F DB 82 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000282DB1F4050, 16 bytes long.
Data: < E Û‚ > 88 45 1F DB 82 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000282DB1F4230, 16 bytes long.
Data: <`E Û‚ > 60 45 1F DB 82 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000282DB1F37E0, 16 bytes long.
Data: <8E Û‚ > 38 45 1F DB 82 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000282DB1F3C90, 16 bytes long.
Data: < E Û‚ > 10 45 1F DB 82 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000282DB1F3F60, 16 bytes long.
Data: <ÀÄ Û‚ > C0 C4 1E DB 82 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000282DB1EC4C0, 40 bytes long.
Data: <`? Û‚ w!Û‚ > 60 3F 1F DB 82 02 00 00 20 77 21 DB 82 02 00 00
{255} normal block at 0x00000282DB1F34C0, 16 bytes long.
Data: <ðD Û‚ > F0 44 1F DB 82 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000282DB1F3EC0, 16 bytes long.
Data: <ÈD Û‚ > C8 44 1F DB 82 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000282DB1EE560, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x00000282DB1F3CE0, 16 bytes long.
Data: < D Û‚ > A0 44 1F DB 82 02 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x00000282DB1F44A0, 992 bytes long.
Data: <à< Û‚ `å Û‚ > E0 3C 1F DB 82 02 00 00 60 E5 1E DB 82 02 00 00
{87} normal block at 0x00000282DB1EEEC0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x00000282DB1E7F90, 16 bytes long.
Data: < Æ Û‚ > 80 C6 1E DB 82 02 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x00000282DB1EC680, 40 bytes long.
Data: < Û‚ Àî Û‚ > 90 7F 1E DB 82 02 00 00 C0 EE 1E DB 82 02 00 00
{64} normal block at 0x00000282DB1E74F0, 16 bytes long.
Data: < ê#‡÷ > 80 EA 23 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000282DB1E71D0, 16 bytes long.
Data: <@é#‡÷ > 40 E9 23 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000282DB1E7180, 16 bytes long.
Data: <øW ‡÷ > F8 57 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000282DB1E7C70, 16 bytes long.
Data: <ØW ‡÷ > D8 57 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000282DB1E7220, 16 bytes long.
Data: <P ‡÷ > 50 04 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000282DB1E7810, 16 bytes long.
Data: <0 ‡÷ > 30 04 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000282DB1E77C0, 16 bytes long.
Data: <à ‡÷ > E0 02 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000282DB1E7D60, 16 bytes long.
Data: < ‡÷ > 10 04 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000282DB1E7C20, 16 bytes long.
Data: <p ‡÷ > 70 04 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x00000282DB1E7130, 16 bytes long.
Data: < À ‡÷ > 18 C0 1E 87 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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