Task 38670930
| Name | test_768-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND2803_0 |
| Workunit | 31613154 |
| Created | 25 Oct 2026, 19:00:55 UTC |
| Sent | 25 Oct 2026, 19:00:57 UTC |
| Report deadline | 30 Oct 2026, 19:00:57 UTC |
| Received | 25 Oct 2026, 20:12:39 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652945 |
| Run time | 26 min 11 sec |
| CPU time | 24 min 32 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 17,844.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 754.34 MB |
| Peak swap size | 9.98 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:46:56 (10304): wrapper (7.9.26016): starting
20:46:56 (10304): 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
20:46:57 (10304): Library/usr/bin/tar.exe exited; CPU time 0.015625
20:46:57 (10304): 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
21:12:17 (10304): C:/Windows/system32/cmd.exe exited; CPU time 1472.109375
21:12:17 (10304): 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: 30963883 bytes.
Dumping objects ->
{3835496} normal block at 0x000001F1DB0FB6B0, 48 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 0x000001F1DB0FB800, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835474} normal block at 0x000001F1DB0FBB80, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835463} normal block at 0x000001F1DB0FC1A0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835452} normal block at 0x000001F1DB0FB8E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835421} normal block at 0x000001F1DCFFC330, 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) : {3835408} normal block at 0x000001F1DB0D7B70, 8 bytes long.
Data: < XÛñ > 00 00 58 DB F1 01 00 00
{3833971} normal block at 0x000001F1DB0D7670, 8 bytes long.
Data: < é Ûñ > 20 E9 0F DB F1 01 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001F1DB0CC7F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001F1DB0C6CE0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x000001F1DB0D10F0, 16 bytes long.
Data: <¨¸ Ûñ > A8 B8 11 DB F1 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001F1DB0D10A0, 16 bytes long.
Data: < ¸ Ûñ > 80 B8 11 DB F1 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001F1DB11AF20, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x000001F1DB0D1EB0, 16 bytes long.
Data: <X¸ Ûñ > 58 B8 11 DB F1 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001F1DB0D1E60, 16 bytes long.
Data: <0¸ Ûñ > 30 B8 11 DB F1 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001F1DB0D1A00, 16 bytes long.
Data: < ¸ Ûñ > 08 B8 11 DB F1 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F1DB0D1DC0, 16 bytes long.
Data: <à· Ûñ > E0 B7 11 DB F1 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001F1DB0D2F00, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x000001F1DB0D19B0, 16 bytes long.
Data: <xk Ûñ > 78 6B 0D DB F1 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001F1DB11AA40, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x000001F1DB0D1FF0, 16 bytes long.
Data: <Pk Ûñ > 50 6B 0D DB F1 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F1DB0D1870, 16 bytes long.
Data: <(k Ûñ > 28 6B 0D DB F1 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F1DB0D1820, 16 bytes long.
Data: < k Ûñ > 00 6B 0D DB F1 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F1DB0D17D0, 16 bytes long.
Data: <Øj Ûñ > D8 6A 0D DB F1 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F1DB0D77B0, 16 bytes long.
Data: <°j Ûñ > B0 6A 0D DB F1 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F1DB0D7710, 16 bytes long.
Data: < j Ûñ > 88 6A 0D DB F1 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F1DB11B2E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x000001F1DB0D7580, 16 bytes long.
Data: <`j Ûñ > 60 6A 0D DB F1 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F1DB0D6A60, 320 bytes long.
Data: < u Ûñ ಠÛñ > 80 75 0D DB F1 01 00 00 E0 B2 11 DB F1 01 00 00
{281} normal block at 0x000001F1DB0D7800, 16 bytes long.
Data: <À· Ûñ > C0 B7 11 DB F1 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F1DB0D7C60, 16 bytes long.
Data: < · Ûñ > 98 B7 11 DB F1 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F1DB11A8C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x000001F1DB0D7BC0, 16 bytes long.
Data: <p· Ûñ > 70 B7 11 DB F1 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F1DB11AE60, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x000001F1DB0D7AD0, 16 bytes long.
Data: <¸¶ Ûñ > B8 B6 11 DB F1 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F1DB0D7A80, 16 bytes long.
Data: < ¶ Ûñ > 90 B6 11 DB F1 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F1DB0D7B20, 16 bytes long.
Data: <h¶ Ûñ > 68 B6 11 DB F1 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F1DB0D7760, 16 bytes long.
Data: <@¶ Ûñ > 40 B6 11 DB F1 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F1DB0D7530, 16 bytes long.
Data: < ¶ Ûñ > 18 B6 11 DB F1 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F1DB0D7A30, 16 bytes long.
Data: <ðµ Ûñ > F0 B5 11 DB F1 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F1DB0D78F0, 16 bytes long.
Data: <ð+ Ûñ > F0 2B 0D DB F1 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F1DB0D2BF0, 40 bytes long.
Data: <ðx Ûñ 0ÃÿÜñ > F0 78 0D DB F1 01 00 00 30 C3 FF DC F1 01 00 00
{267} normal block at 0x000001F1DB0D7990, 16 bytes long.
Data: <е Ûñ > D0 B5 11 DB F1 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F1DB0D75D0, 16 bytes long.
Data: <¨µ Ûñ > A8 B5 11 DB F1 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F1DB11B1C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x000001F1DB0D76C0, 16 bytes long.
Data: < µ Ûñ > 80 B5 11 DB F1 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F1DB11B580, 992 bytes long.
Data: <Àv Ûñ À± Ûñ > C0 76 0D DB F1 01 00 00 C0 B1 11 DB F1 01 00 00
{99} normal block at 0x000001F1DB0CFEE0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x000001F1DB0D1230, 16 bytes long.
Data: <ð2 Ûñ > F0 32 0D DB F1 01 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x000001F1DB0D32F0, 40 bytes long.
Data: <0 Ûñ àþ Ûñ > 30 12 0D DB F1 01 00 00 E0 FE 0C DB F1 01 00 00
{76} normal block at 0x000001F1DB0D1550, 16 bytes long.
Data: < êõ³÷ > 80 EA F5 B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001F1DB0D1500, 16 bytes long.
Data: <@éõ³÷ > 40 E9 F5 B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001F1DB0D1D70, 16 bytes long.
Data: <øWò³÷ > F8 57 F2 B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001F1DB0D1D20, 16 bytes long.
Data: <ØWò³÷ > D8 57 F2 B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001F1DB0D1CD0, 16 bytes long.
Data: <P ò³÷ > 50 04 F2 B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001F1DB0D14B0, 16 bytes long.
Data: <0 ò³÷ > 30 04 F2 B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001F1DB0D1910, 16 bytes long.
Data: <à ò³÷ > E0 02 F2 B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001F1DB0D15F0, 16 bytes long.
Data: < ò³÷ > 10 04 F2 B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F1DB0D1320, 16 bytes long.
Data: <p ò³÷ > 70 04 F2 B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F1DB0D15A0, 16 bytes long.
Data: < Àð³÷ > 18 C0 F0 B3 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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