Task 38679847
| Name | test_51-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND5673_0 |
| Workunit | 31621607 |
| Created | 26 Oct 2026, 21:58:57 UTC |
| Sent | 26 Oct 2026, 21:59:03 UTC |
| Report deadline | 31 Oct 2026, 21:59:03 UTC |
| Received | 27 Oct 2026, 9:54:47 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648712 |
| Run time | 44 min 30 sec |
| CPU time | 44 min 9 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,710.17 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 648.39 MB |
| Peak swap size | 6.75 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
06:44:21 (33336): wrapper (7.9.26016): starting
06:44:21 (33336): 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
06:44:22 (33336): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:44:22 (33336): 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.
17:15:44 (15864): wrapper (7.9.26016): starting
17:15:44 (15864): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
¤l¥Ø¿ý©ÎÀÉ®× C:\ProgramData\BOINC\slots\0\tmp ¤w¸g¦s¦b¡C
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
17:53:40 (15864): C:/Windows/system32/cmd.exe exited; CPU time 2314.218750
17:53:40 (15864): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 33997398 bytes.
Dumping objects ->
{1528} normal block at 0x000002A07685A040, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1517} normal block at 0x000002A076850850, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1506} normal block at 0x000002A076850E70, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1495} normal block at 0x000002A0768507E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1484} normal block at 0x000002A0768508C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1453} normal block at 0x000002A076871D80, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {1440} normal block at 0x000002A0768586F0, 8 bytes long.
Data: < *x > 00 00 2A 78 A0 02 00 00
{298} normal block at 0x000002A0768581F0, 8 bytes long.
Data: <@ v > 40 8E 85 76 A0 02 00 00
{289} normal block at 0x000002A076851760, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x000002A0768584C0, 16 bytes long.
Data: <8} v > 38 7D 85 76 A0 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002A076858C90, 16 bytes long.
Data: < } v > 10 7D 85 76 A0 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002A076852630, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x000002A076858B50, 16 bytes long.
Data: < | v > E8 7C 85 76 A0 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002A076857E80, 16 bytes long.
Data: < | v > C0 7C 85 76 A0 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002A076858C40, 16 bytes long.
Data: < | v > 98 7C 85 76 A0 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002A076858970, 16 bytes long.
Data: <p| v > 70 7C 85 76 A0 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002A076850E00, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x000002A0768586A0, 16 bytes long.
Data: < v > F8 16 85 76 A0 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002A076852450, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x000002A076854080, 16 bytes long.
Data: < v > D0 16 85 76 A0 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002A0768543A0, 16 bytes long.
Data: < v > A8 16 85 76 A0 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002A076853EF0, 16 bytes long.
Data: < v > 80 16 85 76 A0 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002A076853E00, 16 bytes long.
Data: <X v > 58 16 85 76 A0 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002A076853C20, 16 bytes long.
Data: <0 v > 30 16 85 76 A0 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002A076854350, 16 bytes long.
Data: < v > 08 16 85 76 A0 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002A076851EB0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x000002A076854670, 16 bytes long.
Data: < v > E0 15 85 76 A0 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002A0768515E0, 320 bytes long.
Data: <pF v v > 70 46 85 76 A0 02 00 00 B0 1E 85 76 A0 02 00 00
{268} normal block at 0x000002A0768541C0, 16 bytes long.
Data: <P| v > 50 7C 85 76 A0 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002A076853B80, 16 bytes long.
Data: <(| v > 28 7C 85 76 A0 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002A076851E50, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x000002A076853A40, 16 bytes long.
Data: < | v > 00 7C 85 76 A0 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002A0768526F0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x000002A076853B30, 16 bytes long.
Data: <H{ v > 48 7B 85 76 A0 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002A0768539F0, 16 bytes long.
Data: < { v > 20 7B 85 76 A0 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002A076853950, 16 bytes long.
Data: < z v > F8 7A 85 76 A0 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002A0768539A0, 16 bytes long.
Data: < z v > D0 7A 85 76 A0 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002A076853900, 16 bytes long.
Data: < z v > A8 7A 85 76 A0 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002A076853D60, 16 bytes long.
Data: < z v > 80 7A 85 76 A0 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002A076854580, 16 bytes long.
Data: < v > E0 0E 85 76 A0 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002A076850EE0, 40 bytes long.
Data: < E v v > 80 45 85 76 A0 02 00 00 80 1D 87 76 A0 02 00 00
{254} normal block at 0x000002A076854530, 16 bytes long.
Data: <`z v > 60 7A 85 76 A0 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000002A0768544E0, 16 bytes long.
Data: <8z v > 38 7A 85 76 A0 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000002A076851D30, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x000002A076853E50, 16 bytes long.
Data: < z v > 10 7A 85 76 A0 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000002A076857A10, 992 bytes long.
Data: <P> v 0 v > 50 3E 85 76 A0 02 00 00 30 1D 85 76 A0 02 00 00
{86} normal block at 0x000002A076852510, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x000002A076854030, 16 bytes long.
Data: <@ v > 40 0C 85 76 A0 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000002A076850C40, 40 bytes long.
Data: <0@ v % v > 30 40 85 76 A0 02 00 00 10 25 85 76 A0 02 00 00
{61} normal block at 0x000002A076853F90, 16 bytes long.
Data: < J > 80 EA 15 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002A076853F40, 16 bytes long.
Data: <@ J > 40 E9 15 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002A076853EA0, 16 bytes long.
Data: < W J > F8 57 12 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002A076853DB0, 16 bytes long.
Data: < W J > D8 57 12 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002A076854850, 16 bytes long.
Data: <P J > 50 04 12 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000002A0768543F0, 16 bytes long.
Data: <0 J > 30 04 12 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000002A076854800, 16 bytes long.
Data: < J > E0 02 12 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000002A076853BD0, 16 bytes long.
Data: < J > 10 04 12 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x000002A076853A90, 16 bytes long.
Data: <p J > 70 04 12 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{52} normal block at 0x000002A0768540D0, 16 bytes long.
Data: < J > 18 C0 10 4A F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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