Task 38696410
| Name | test_520-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND3082_0 |
| Workunit | 31637043 |
| Created | 31 Oct 2026, 23:18:47 UTC |
| Sent | 31 Oct 2026, 23:18:50 UTC |
| Report deadline | 5 Nov 2026, 23:18:50 UTC |
| Received | 1 Nov 2026, 0:11:28 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 637713 |
| Run time | 51 min 1 sec |
| CPU time | 48 min 17 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,255.46 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 728.25 MB |
| Peak swap size | 11.37 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:19:59 (50136): wrapper (7.9.26016): starting
23:19:59 (50136): 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
23:20:00 (50136): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:20:00 (50136): 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\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:\ProgramData\BOINC\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
00:10:11 (50136): C:/Windows/system32/cmd.exe exited; CPU time 2897.937500
00:10:11 (50136): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 75204899 bytes.
Dumping objects ->
{3835571} normal block at 0x000001D5ABD6DCF0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835560} normal block at 0x000001D5ABD6DE40, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835549} normal block at 0x000001D5ABD6E000, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835538} normal block at 0x000001D5A9FB5930, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835527} normal block at 0x000001D5A9FB5770, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835496} normal block at 0x000001D5ABDBB500, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835485} normal block at 0x000001D5AA00CF40, 140 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) : {3835482} normal block at 0x000001D5A9FAE110, 8 bytes long.
Data: < ø©Õ > 00 00 F8 A9 D5 01 00 00
{3834700} normal block at 0x000001D5AA00BBC0, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833965} normal block at 0x000001D5A9FADDA0, 8 bytes long.
Data: <°Ýù©Õ > B0 DD F9 A9 D5 01 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001D5A9FB1E40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001D5A9FA6C50, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x000001D5A9FB6030, 16 bytes long.
Data: <(tû©Õ > 28 74 FB A9 D5 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001D5A9FB6B70, 16 bytes long.
Data: < tû©Õ > 00 74 FB A9 D5 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001D5A9FAFEF0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x000001D5A9FB6E90, 16 bytes long.
Data: <Øsû©Õ > D8 73 FB A9 D5 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001D5A9FB65D0, 16 bytes long.
Data: <°sû©Õ > B0 73 FB A9 D5 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D5A9FB6AD0, 16 bytes long.
Data: < sû©Õ > 88 73 FB A9 D5 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001D5A9FB6990, 16 bytes long.
Data: <`sû©Õ > 60 73 FB A9 D5 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001D5A9FB5460, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x000001D5A9FB60D0, 16 bytes long.
Data: < ùù©Õ > 18 F9 F9 A9 D5 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001D5A9FB03D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x000001D5A9FB64E0, 16 bytes long.
Data: <ðøù©Õ > F0 F8 F9 A9 D5 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001D5A9FB6E40, 16 bytes long.
Data: <Èøù©Õ > C8 F8 F9 A9 D5 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D5A9FB6440, 16 bytes long.
Data: < øù©Õ > A0 F8 F9 A9 D5 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001D5A9FB63F0, 16 bytes long.
Data: <xøù©Õ > 78 F8 F9 A9 D5 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001D5A9FB6C10, 16 bytes long.
Data: <Pøù©Õ > 50 F8 F9 A9 D5 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D5A9FB6210, 16 bytes long.
Data: <(øù©Õ > 28 F8 F9 A9 D5 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D5A9FB0010, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x000001D5A9FB69E0, 16 bytes long.
Data: < øù©Õ > 00 F8 F9 A9 D5 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001D5A9F9F800, 320 bytes long.
Data: <àiû©Õ û©Õ > E0 69 FB A9 D5 01 00 00 10 00 FB A9 D5 01 00 00
{278} normal block at 0x000001D5A9FB6DF0, 16 bytes long.
Data: <@sû©Õ > 40 73 FB A9 D5 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D5A9FB6530, 16 bytes long.
Data: < sû©Õ > 18 73 FB A9 D5 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001D5A9FB0190, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x000001D5A9FB6DA0, 16 bytes long.
Data: <ðrû©Õ > F0 72 FB A9 D5 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001D5A9FB04F0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x000001D5A9FB6940, 16 bytes long.
Data: <8rû©Õ > 38 72 FB A9 D5 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D5A9FB6BC0, 16 bytes long.
Data: < rû©Õ > 10 72 FB A9 D5 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001D5A9FB6D50, 16 bytes long.
Data: <èqû©Õ > E8 71 FB A9 D5 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D5A9FB67B0, 16 bytes long.
Data: <Àqû©Õ > C0 71 FB A9 D5 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001D5A9FB6490, 16 bytes long.
Data: < qû©Õ > 98 71 FB A9 D5 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D5A9FB6580, 16 bytes long.
Data: <pqû©Õ > 70 71 FB A9 D5 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001D5A9FB6350, 16 bytes long.
Data: <°Uû©Õ > B0 55 FB A9 D5 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D5A9FB55B0, 40 bytes long.
Data: <Pcû©Õ µÛ«Õ > 50 63 FB A9 D5 01 00 00 00 B5 DB AB D5 01 00 00
{264} normal block at 0x000001D5A9FB6260, 16 bytes long.
Data: <Pqû©Õ > 50 71 FB A9 D5 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001D5A9FB6D00, 16 bytes long.
Data: <(qû©Õ > 28 71 FB A9 D5 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001D5A9FB0310, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x000001D5A9FB6A80, 16 bytes long.
Data: < qû©Õ > 00 71 FB A9 D5 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001D5A9FB7100, 992 bytes long.
Data: < jû©Õ û©Õ > 80 6A FB A9 D5 01 00 00 10 03 FB A9 D5 01 00 00
{96} normal block at 0x000001D5A9FB0550, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x000001D5A9FAE340, 16 bytes long.
Data: < Sû©Õ > 80 53 FB A9 D5 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000001D5A9FB5380, 40 bytes long.
Data: <@ãú©Õ P û©Õ > 40 E3 FA A9 D5 01 00 00 50 05 FB A9 D5 01 00 00
{73} normal block at 0x000001D5A9FAD8A0, 16 bytes long.
Data: < ê Ÿö > 80 EA 17 9F F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001D5A9FAD940, 16 bytes long.
Data: <@é Ÿö > 40 E9 17 9F F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001D5A9FAE250, 16 bytes long.
Data: <øW Ÿö > F8 57 14 9F F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001D5A9FAE430, 16 bytes long.
Data: <ØW Ÿö > D8 57 14 9F F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001D5A9FAE7F0, 16 bytes long.
Data: <P Ÿö > 50 04 14 9F F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001D5A9FAE6B0, 16 bytes long.
Data: <0 Ÿö > 30 04 14 9F F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001D5A9FAD9E0, 16 bytes long.
Data: <à Ÿö > E0 02 14 9F F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001D5A9FAE480, 16 bytes long.
Data: < Ÿö > 10 04 14 9F F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001D5A9FADBC0, 16 bytes long.
Data: <p Ÿö > 70 04 14 9F F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001D5A9FAD8F0, 16 bytes long.
Data: < À Ÿö > 18 C0 12 9F F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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