Task 38688449
| Name | test_548-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND2909_0 |
| Workunit | 31629801 |
| Created | 28 Oct 2026, 14:01:40 UTC |
| Sent | 28 Oct 2026, 14:01:44 UTC |
| Report deadline | 2 Nov 2026, 14:01:44 UTC |
| Received | 28 Oct 2026, 15:14:25 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 617005 |
| Run time | 58 min 58 sec |
| CPU time | 51 min 44 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,204.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 662.67 MB |
| Peak swap size | 2.24 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:13:01 (15476): wrapper (7.9.26016): starting
17:13:01 (15476): 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
17:13:07 (15476): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:13:07 (15476): 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 'D:\BOINC\slots\3\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 'D:\BOINC\slots\3\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
18:10:11 (15476): C:/Windows/system32/cmd.exe exited; CPU time 3104.203125
18:10:11 (15476): 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: 43440533 bytes.
Dumping objects ->
{3835529} normal block at 0x000001FF86C51490, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835518} normal block at 0x000001FF88705D80, 32 bytes long.
Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835507} normal block at 0x000001FF88705C00, 32 bytes long.
Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835496} normal block at 0x000001FF88705F60, 32 bytes long.
Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835485} normal block at 0x000001FF88705DE0, 32 bytes long.
Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C
{3835454} normal block at 0x000001FF86C512D0, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835443} normal block at 0x000001FF86C4A4C0, 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) : {3835440} normal block at 0x000001FF86C47190, 8 bytes long.
Data: < ¼†ÿ > 00 00 BC 86 FF 01 00 00
{3834685} normal block at 0x000001FF86C495E0, 200 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833943} normal block at 0x000001FF86C46DD0, 8 bytes long.
Data: <Àè\ ÿ > C0 E8 5C 88 FF 01 00 00
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x000001FF86C52030, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001FF86C35F20, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{287} normal block at 0x000001FF86C53070, 16 bytes long.
Data: <(Aņÿ > 28 41 C5 86 FF 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001FF86C53D40, 16 bytes long.
Data: < Aņÿ > 00 41 C5 86 FF 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001FF86C4C7D0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{284} normal block at 0x000001FF86C53A70, 16 bytes long.
Data: <Ø@ņÿ > D8 40 C5 86 FF 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FF86C53840, 16 bytes long.
Data: <°@ņÿ > B0 40 C5 86 FF 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FF86C52F30, 16 bytes long.
Data: < @ņÿ > 88 40 C5 86 FF 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001FF86C531B0, 16 bytes long.
Data: <`@ņÿ > 60 40 C5 86 FF 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FF86C511F0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{279} normal block at 0x000001FF86C53430, 16 bytes long.
Data: <¸^Æÿ > B8 5E C3 86 FF 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001FF86C4B9F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{277} normal block at 0x000001FF86C53CA0, 16 bytes long.
Data: <^Æÿ > 90 5E C3 86 FF 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FF86C53660, 16 bytes long.
Data: <h^Æÿ > 68 5E C3 86 FF 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001FF86C533E0, 16 bytes long.
Data: <@^Æÿ > 40 5E C3 86 FF 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001FF86C52EE0, 16 bytes long.
Data: < ^Æÿ > 18 5E C3 86 FF 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FF86C53160, 16 bytes long.
Data: <ð]Æÿ > F0 5D C3 86 FF 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001FF86C53750, 16 bytes long.
Data: <È]Æÿ > C8 5D C3 86 FF 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FF86C4BF90, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{269} normal block at 0x000001FF86C537A0, 16 bytes long.
Data: < ]Æÿ > A0 5D C3 86 FF 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001FF86C35DA0, 320 bytes long.
Data: < 7ņÿ ¿Ä†ÿ > A0 37 C5 86 FF 01 00 00 90 BF C4 86 FF 01 00 00
{267} normal block at 0x000001FF86C53C50, 16 bytes long.
Data: <@@ņÿ > 40 40 C5 86 FF 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FF86C53020, 16 bytes long.
Data: < @ņÿ > 18 40 C5 86 FF 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001FF86C4BC30, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{264} normal block at 0x000001FF86C537F0, 16 bytes long.
Data: <ð?ņÿ > F0 3F C5 86 FF 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001FF86C4C2F0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{262} normal block at 0x000001FF86C52E90, 16 bytes long.
Data: <8?ņÿ > 38 3F C5 86 FF 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001FF86C53C00, 16 bytes long.
Data: < ?ņÿ > 10 3F C5 86 FF 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001FF86C53980, 16 bytes long.
Data: <è>ņÿ > E8 3E C5 86 FF 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001FF86C539D0, 16 bytes long.
Data: <À>ņÿ > C0 3E C5 86 FF 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001FF86C53BB0, 16 bytes long.
Data: < >ņÿ > 98 3E C5 86 FF 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001FF86C53B60, 16 bytes long.
Data: <p>ņÿ > 70 3E C5 86 FF 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001FF86C53610, 16 bytes long.
Data: <ð ņÿ > F0 18 C5 86 FF 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001FF86C518F0, 40 bytes long.
Data: < 6ņÿ Рņÿ > 10 36 C5 86 FF 01 00 00 D0 12 C5 86 FF 01 00 00
{253} normal block at 0x000001FF86C53930, 16 bytes long.
Data: <P>ņÿ > 50 3E C5 86 FF 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001FF86C53890, 16 bytes long.
Data: <(>ņÿ > 28 3E C5 86 FF 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000001FF86C4BC90, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{250} normal block at 0x000001FF86C53CF0, 16 bytes long.
Data: < >ņÿ > 00 3E C5 86 FF 01 00 00 00 00 00 00 00 00 00 00
{249} normal block at 0x000001FF86C53E00, 992 bytes long.
Data: <ð<ņÿ ¼Ä†ÿ > F0 3C C5 86 FF 01 00 00 90 BC C4 86 FF 01 00 00
{85} normal block at 0x000001FF86C4C050, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{84} normal block at 0x000001FF86C47000, 16 bytes long.
Data: < ņÿ > 10 18 C5 86 FF 01 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x000001FF86C51810, 40 bytes long.
Data: < pĆÿ PÀĆÿ > 00 70 C4 86 FF 01 00 00 50 C0 C4 86 FF 01 00 00
{62} normal block at 0x000001FF86C47690, 16 bytes long.
Data: <€ê)åö > 80 EA 29 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001FF86C46F60, 16 bytes long.
Data: <@é)åö > 40 E9 29 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001FF86C47640, 16 bytes long.
Data: <øW&åö > F8 57 26 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001FF86C473C0, 16 bytes long.
Data: <ØW&åö > D8 57 26 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001FF86C46BF0, 16 bytes long.
Data: <P &åö > 50 04 26 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001FF86C47960, 16 bytes long.
Data: <0 &åö > 30 04 26 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001FF86C47910, 16 bytes long.
Data: <à &åö > E0 02 26 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001FF86C46EC0, 16 bytes long.
Data: < &åö > 10 04 26 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000001FF86C46B50, 16 bytes long.
Data: <p &åö > 70 04 26 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x000001FF86C47460, 16 bytes long.
Data: < À$åö > 18 C0 24 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra