Task 38683956
| Name | test_990-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND2116_0 |
| Workunit | 31625489 |
| Created | 27 Oct 2026, 14:04:26 UTC |
| Sent | 27 Oct 2026, 14:04:38 UTC |
| Report deadline | 1 Nov 2026, 14:04:38 UTC |
| Received | 27 Oct 2026, 14:17:32 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654520 |
| Run time | 11 min 50 sec |
| CPU time | 11 min 16 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 107,364.84 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 754.40 MB |
| Peak swap size | 13.65 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:05:57 (12096): wrapper (7.9.26016): starting
22:05:57 (12096): 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
22:05:58 (12096): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:05:58 (12096): 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.
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
22:17:16 (12096): C:/Windows/system32/cmd.exe exited; CPU time 676.953125
22:17:16 (12096): 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: 10751015 bytes.
Dumping objects ->
{3835687} normal block at 0x00000117389AB320, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835676} normal block at 0x00000117389AA8A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835665} normal block at 0x00000117389AAD00, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835654} normal block at 0x00000117389AB2B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835643} normal block at 0x00000117389AB0F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835612} normal block at 0x000001173A9FE440, 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) : {3835599} normal block at 0x000001173897EED0, 8 bytes long.
Data: < 8 > 00 00 F3 38 17 01 00 00
{3834089} normal block at 0x000001173897F470, 8 bytes long.
Data: < : > 10 AE A9 3A 17 01 00 00
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x0000011738982D30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x000001173896F7A0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{304} normal block at 0x0000011738987FB0, 16 bytes long.
Data: <h 8 > 68 86 98 38 17 01 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x0000011738988140, 16 bytes long.
Data: <@ 8 > 40 86 98 38 17 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000011738980D60, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{301} normal block at 0x0000011738987560, 16 bytes long.
Data: < 8 > 18 86 98 38 17 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000011738987C40, 16 bytes long.
Data: < 8 > F0 85 98 38 17 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000011738987F10, 16 bytes long.
Data: < 8 > C8 85 98 38 17 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000011738987830, 16 bytes long.
Data: < 8 > A0 85 98 38 17 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000011738985EE0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{296} normal block at 0x0000011738987510, 16 bytes long.
Data: <H 8 > 48 03 98 38 17 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000011738980700, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{294} normal block at 0x0000011738987BF0, 16 bytes long.
Data: < 8 > 20 03 98 38 17 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000117389879C0, 16 bytes long.
Data: < 8 > F8 02 98 38 17 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000011738987790, 16 bytes long.
Data: < 8 > D0 02 98 38 17 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000117389875B0, 16 bytes long.
Data: < 8 > A8 02 98 38 17 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000011738987EC0, 16 bytes long.
Data: < 8 > 80 02 98 38 17 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000011738987920, 16 bytes long.
Data: <X 8 > 58 02 98 38 17 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000011738981240, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{286} normal block at 0x0000011738987A60, 16 bytes long.
Data: <0 8 > 30 02 98 38 17 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000011738980230, 320 bytes long.
Data: <`z 8 @ 8 > 60 7A 98 38 17 01 00 00 40 12 98 38 17 01 00 00
{284} normal block at 0x0000011738987F60, 16 bytes long.
Data: < 8 > 80 85 98 38 17 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000011738988280, 16 bytes long.
Data: <X 8 > 58 85 98 38 17 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000011738980520, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{281} normal block at 0x0000011738987420, 16 bytes long.
Data: <0 8 > 30 85 98 38 17 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000011738980B20, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{279} normal block at 0x00000117389874C0, 16 bytes long.
Data: <x 8 > 78 84 98 38 17 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000011738987D80, 16 bytes long.
Data: <P 8 > 50 84 98 38 17 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000011738987E70, 16 bytes long.
Data: <( 8 > 28 84 98 38 17 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000117389878D0, 16 bytes long.
Data: < 8 > 00 84 98 38 17 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000011738987E20, 16 bytes long.
Data: < 8 > D8 83 98 38 17 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000011738987380, 16 bytes long.
Data: < 8 > B0 83 98 38 17 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000011738987BA0, 16 bytes long.
Data: <p^ 8 > 70 5E 98 38 17 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000011738985E70, 40 bytes long.
Data: < { 8 @ : > A0 7B 98 38 17 01 00 00 40 E4 9F 3A 17 01 00 00
{270} normal block at 0x00000117389873D0, 16 bytes long.
Data: < 8 > 90 83 98 38 17 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000011738987A10, 16 bytes long.
Data: <h 8 > 68 83 98 38 17 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000011738981180, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{267} normal block at 0x00000117389876F0, 16 bytes long.
Data: <@ 8 > 40 83 98 38 17 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000011738988340, 992 bytes long.
Data: < v 8 8 > F0 76 98 38 17 01 00 00 80 11 98 38 17 01 00 00
{102} normal block at 0x0000011738981360, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{101} normal block at 0x000001173897EF70, 16 bytes long.
Data: <0Y 8 > 30 59 98 38 17 01 00 00 00 00 00 00 00 00 00 00
{100} normal block at 0x0000011738985930, 40 bytes long.
Data: <p 8 ` 8 > 70 EF 97 38 17 01 00 00 60 13 98 38 17 01 00 00
{77} normal block at 0x000001173897F830, 16 bytes long.
Data: < A > 80 EA E2 41 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001173897F920, 16 bytes long.
Data: <@ A > 40 E9 E2 41 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001173897F0B0, 16 bytes long.
Data: < W A > F8 57 DF 41 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001173897F240, 16 bytes long.
Data: < W A > D8 57 DF 41 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001173897FA60, 16 bytes long.
Data: <P A > 50 04 DF 41 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001173897EBB0, 16 bytes long.
Data: <0 A > 30 04 DF 41 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001173897F330, 16 bytes long.
Data: < A > E0 02 DF 41 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001173897F7E0, 16 bytes long.
Data: < A > 10 04 DF 41 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001173897F880, 16 bytes long.
Data: <p A > 70 04 DF 41 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001173897F790, 16 bytes long.
Data: < A > 18 C0 DD 41 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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