Task 38688907
| Name | test_645-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND1831_0 |
| Workunit | 31630203 |
| Created | 28 Oct 2026, 16:52:49 UTC |
| Sent | 28 Oct 2026, 16:52:52 UTC |
| Report deadline | 2 Nov 2026, 16:52:52 UTC |
| Received | 28 Oct 2026, 17:41:32 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 550864 |
| Run time | 47 min 14 sec |
| CPU time | 45 min |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,030.17 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 646.13 MB |
| Peak swap size | 3.69 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
12:54:24 (4332): wrapper (7.9.26016): starting
12:54:24 (4332): 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
12:54:39 (4332): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:54:39 (4332): 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 'P:\BOINC\data\slots\5\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 'P:\BOINC\data\slots\5\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
13:41:08 (4332): C:/Windows/system32/cmd.exe exited; CPU time 2700.156250
13:41:08 (4332): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 bytes in 6 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: 41112437 bytes.
Dumping objects ->
{3835192} normal block at 0x000001F9BAE75BD0, 48 bytes long.
Data: <PATH=P:\BOINC\da> 50 41 54 48 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61
{3835181} normal block at 0x000001F9BC955AD0, 32 bytes long.
Data: <HOME=P:\BOINC\da> 48 4F 4D 45 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61
{3835170} normal block at 0x000001F9BC9558F0, 32 bytes long.
Data: <TMP=P:\BOINC\dat> 54 4D 50 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 74
{3835159} normal block at 0x000001F9BC955890, 32 bytes long.
Data: <TEMP=P:\BOINC\da> 54 45 4D 50 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61
{3835148} normal block at 0x000001F9BC955770, 32 bytes long.
Data: <TMPDIR=P:\BOINC\> 54 4D 50 44 49 52 3D 50 3A 5C 42 4F 49 4E 43 5C
{3835117} normal block at 0x000001F9BAE75FC0, 48 bytes long.
Data: <PATH=P:\BOINC\da> 50 41 54 48 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61
..\api\boinc_api.cpp(309) : {3835103} normal block at 0x000001F9BAE46C40, 8 bytes long.
Data: < m¼ù > 00 00 6D BC F9 01 00 00
{3833953} normal block at 0x000001F9BAE47050, 8 bytes long.
Data: < r‘¼ù > 10 72 91 BC F9 01 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001F9BAE501A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F9BAE4C850, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x000001F9BAE52090, 16 bytes long.
Data: <(9åºù > 28 39 E5 BA F9 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F9BAE51F00, 16 bytes long.
Data: < 9åºù > 00 39 E5 BA F9 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F9BAE4D4E0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x000001F9BAE51B90, 16 bytes long.
Data: <Ø8åºù > D8 38 E5 BA F9 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F9BAE51E60, 16 bytes long.
Data: <°8åºù > B0 38 E5 BA F9 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F9BAE51DC0, 16 bytes long.
Data: < 8åºù > 88 38 E5 BA F9 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F9BAE51AA0, 16 bytes long.
Data: <`8åºù > 60 38 E5 BA F9 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F9BAE4B7B0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x000001F9BAE515A0, 16 bytes long.
Data: <(±ãºù > 28 B1 E3 BA F9 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F9BAE4CEE0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x000001F9BAE519B0, 16 bytes long.
Data: < ±ãºù > 00 B1 E3 BA F9 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F9BAE51D70, 16 bytes long.
Data: <Ø°ãºù > D8 B0 E3 BA F9 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F9BAE518C0, 16 bytes long.
Data: <°°ãºù > B0 B0 E3 BA F9 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F9BAE51D20, 16 bytes long.
Data: < °ãºù > 88 B0 E3 BA F9 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F9BAE51FF0, 16 bytes long.
Data: <`°ãºù > 60 B0 E3 BA F9 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F9BAE51EB0, 16 bytes long.
Data: <8°ãºù > 38 B0 E3 BA F9 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F9BAE4D240, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x000001F9BAE51E10, 16 bytes long.
Data: < °ãºù > 10 B0 E3 BA F9 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F9BAE3B010, 320 bytes long.
Data: < åºù @Òäºù > 10 1E E5 BA F9 01 00 00 40 D2 E4 BA F9 01 00 00
{272} normal block at 0x000001F9BAE514B0, 16 bytes long.
Data: <@8åºù > 40 38 E5 BA F9 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F9BAE51410, 16 bytes long.
Data: < 8åºù > 18 38 E5 BA F9 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F9BAE4CE20, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x000001F9BAE516E0, 16 bytes long.
Data: <ð7åºù > F0 37 E5 BA F9 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F9BAE4D180, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x000001F9BAE517D0, 16 bytes long.
Data: <87åºù > 38 37 E5 BA F9 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F9BAE512D0, 16 bytes long.
Data: < 7åºù > 10 37 E5 BA F9 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F9BAE51230, 16 bytes long.
Data: <è6åºù > E8 36 E5 BA F9 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F9BAE51C80, 16 bytes long.
Data: <À6åºù > C0 36 E5 BA F9 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F9BAE51500, 16 bytes long.
Data: < 6åºù > 98 36 E5 BA F9 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F9BAE51460, 16 bytes long.
Data: <p6åºù > 70 36 E5 BA F9 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001F9BAE52130, 16 bytes long.
Data: < µäºù > 10 B5 E4 BA F9 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001F9BAE4B510, 40 bytes long.
Data: <0!åºù À_çºù > 30 21 E5 BA F9 01 00 00 C0 5F E7 BA F9 01 00 00
{258} normal block at 0x000001F9BAE51CD0, 16 bytes long.
Data: <P6åºù > 50 36 E5 BA F9 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001F9BAE51BE0, 16 bytes long.
Data: <(6åºù > 28 36 E5 BA F9 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001F9BAE4CC40, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x000001F9BAE51320, 16 bytes long.
Data: < 6åºù > 00 36 E5 BA F9 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001F9BAE53600, 992 bytes long.
Data: < åºù @Ìäºù > 20 13 E5 BA F9 01 00 00 40 CC E4 BA F9 01 00 00
{90} normal block at 0x000001F9BAE4CAC0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x000001F9BAE46BF0, 16 bytes long.
Data: <0´äºù > 30 B4 E4 BA F9 01 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x000001F9BAE4B430, 40 bytes long.
Data: <ðkäºù ÀÊäºù > F0 6B E4 BA F9 01 00 00 C0 CA E4 BA F9 01 00 00
{67} normal block at 0x000001F9BAE46E20, 16 bytes long.
Data: < ê[ÿ÷ > 80 EA 5B FF F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F9BAE46AB0, 16 bytes long.
Data: <@é[ÿ÷ > 40 E9 5B FF F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001F9BAE47190, 16 bytes long.
Data: <øWXÿ÷ > F8 57 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F9BAE46D80, 16 bytes long.
Data: <ØWXÿ÷ > D8 57 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001F9BAE468D0, 16 bytes long.
Data: <P Xÿ÷ > 50 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001F9BAE46650, 16 bytes long.
Data: <0 Xÿ÷ > 30 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001F9BAE47140, 16 bytes long.
Data: <à Xÿ÷ > E0 02 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001F9BAE469C0, 16 bytes long.
Data: < Xÿ÷ > 10 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001F9BAE46880, 16 bytes long.
Data: <p Xÿ÷ > 70 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001F9BAE46790, 16 bytes long.
Data: < ÀVÿ÷ > 18 C0 56 FF F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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