Task 38684669
| Name | test_18-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND6570_0 |
| Workunit | 31626176 |
| Created | 27 Oct 2026, 17:24:41 UTC |
| Sent | 27 Oct 2026, 17:24:43 UTC |
| Report deadline | 1 Nov 2026, 17:24:43 UTC |
| Received | 27 Oct 2026, 18:09:12 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648841 |
| Run time | 17 min 7 sec |
| CPU time | 16 min 7 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 58,709.55 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 764.46 MB |
| Peak swap size | 13.07 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
18:52:06 (34064): wrapper (7.9.26016): starting
18:52:06 (34064): 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
18:52:08 (34064): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:52:08 (34064): 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\23\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\23\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
19:08:36 (34064): C:/Windows/system32/cmd.exe exited; CPU time 967.625000
19:08:36 (34064): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 24542015 bytes.
Dumping objects ->
{3835552} normal block at 0x000002C1C02CE900, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835541} normal block at 0x000002C1C02CED60, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835530} normal block at 0x000002C1BE5F4630, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835519} normal block at 0x000002C1BE5F4010, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835508} normal block at 0x000002C1BE5F4080, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835477} normal block at 0x000002C1C031C310, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835466} normal block at 0x000002C1C0330100, 102 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) : {3835463} normal block at 0x000002C1BE5EFCD0, 8 bytes long.
Data: < [¾Á > 00 00 5B BE C1 02 00 00
{3834688} normal block at 0x000002C1C032FB80, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833963} normal block at 0x000002C1BE5EF410, 8 bytes long.
Data: <PX7ÀÁ > 50 58 37 C0 C1 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002C1BE5F6470, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002C1BE5E70E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000002C1BE5F54F0, 16 bytes long.
Data: <(^_¾Á > 28 5E 5F BE C1 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002C1BE5F58B0, 16 bytes long.
Data: < ^_¾Á > 00 5E 5F BE C1 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002C1BE5F0CD0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000002C1BE5F54A0, 16 bytes long.
Data: <Ø]_¾Á > D8 5D 5F BE C1 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002C1BE5F4FF0, 16 bytes long.
Data: <°]_¾Á > B0 5D 5F BE C1 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002C1BE5F4BE0, 16 bytes long.
Data: < ]_¾Á > 88 5D 5F BE C1 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002C1BE5F4B90, 16 bytes long.
Data: <`]_¾Á > 60 5D 5F BE C1 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002C1BE5F4160, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000002C1BE5F5A90, 16 bytes long.
Data: <¨ú]¾Á > A8 FA 5D BE C1 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002C1BE5F0E50, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000002C1BE5F5860, 16 bytes long.
Data: < ú]¾Á > 80 FA 5D BE C1 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002C1BE5F5450, 16 bytes long.
Data: <Xú]¾Á > 58 FA 5D BE C1 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002C1BE5F4D20, 16 bytes long.
Data: <0ú]¾Á > 30 FA 5D BE C1 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002C1BE5F52C0, 16 bytes long.
Data: < ú]¾Á > 08 FA 5D BE C1 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002C1BE5F4B40, 16 bytes long.
Data: <àù]¾Á > E0 F9 5D BE C1 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002C1BE5F5810, 16 bytes long.
Data: <¸ù]¾Á > B8 F9 5D BE C1 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002C1BE5F0D30, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000002C1BE5F5A40, 16 bytes long.
Data: < ù]¾Á > 90 F9 5D BE C1 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002C1BE5DF990, 320 bytes long.
Data: <@Z_¾Á 0 _¾Á > 40 5A 5F BE C1 02 00 00 30 0D 5F BE C1 02 00 00
{277} normal block at 0x000002C1BE5F5270, 16 bytes long.
Data: <@]_¾Á > 40 5D 5F BE C1 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002C1BE5F5090, 16 bytes long.
Data: < ]_¾Á > 18 5D 5F BE C1 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002C1BE5F0670, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000002C1BE5F57C0, 16 bytes long.
Data: <ð\_¾Á > F0 5C 5F BE C1 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002C1BE5F0F10, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000002C1BE5F5180, 16 bytes long.
Data: <8\_¾Á > 38 5C 5F BE C1 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002C1BE5F5770, 16 bytes long.
Data: < \_¾Á > 10 5C 5F BE C1 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002C1BE5F5400, 16 bytes long.
Data: <è[_¾Á > E8 5B 5F BE C1 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002C1BE5F4CD0, 16 bytes long.
Data: <À[_¾Á > C0 5B 5F BE C1 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002C1BE5F53B0, 16 bytes long.
Data: < [_¾Á > 98 5B 5F BE C1 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002C1BE5F5220, 16 bytes long.
Data: <p[_¾Á > 70 5B 5F BE C1 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002C1BE5F59F0, 16 bytes long.
Data: <@B_¾Á > 40 42 5F BE C1 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002C1BE5F4240, 40 bytes long.
Data: <ðY_¾Á Ã1ÀÁ > F0 59 5F BE C1 02 00 00 10 C3 31 C0 C1 02 00 00
{263} normal block at 0x000002C1BE5F5720, 16 bytes long.
Data: <P[_¾Á > 50 5B 5F BE C1 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002C1BE5F5360, 16 bytes long.
Data: <([_¾Á > 28 5B 5F BE C1 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002C1BE5F0190, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000002C1BE5F5310, 16 bytes long.
Data: < [_¾Á > 00 5B 5F BE C1 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002C1BE5F5B00, 992 bytes long.
Data: < S_¾Á _¾Á > 10 53 5F BE C1 02 00 00 90 01 5F BE C1 02 00 00
{95} normal block at 0x000002C1BE5F0DF0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000002C1BE5EF1E0, 16 bytes long.
Data: < ù]¾Á > 20 F9 5D BE C1 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000002C1BE5DF920, 40 bytes long.
Data: <àñ^¾Á ð _¾Á > E0 F1 5E BE C1 02 00 00 F0 0D 5F BE C1 02 00 00
{72} normal block at 0x000002C1BE5EFAA0, 16 bytes long.
Data: < ê¡ñ÷ > 80 EA A1 F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002C1BE5EF0F0, 16 bytes long.
Data: <@é¡ñ÷ > 40 E9 A1 F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002C1BE5EF2D0, 16 bytes long.
Data: <øWžñ÷ > F8 57 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002C1BE5EF550, 16 bytes long.
Data: <ØWžñ÷ > D8 57 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002C1BE5EF370, 16 bytes long.
Data: <P žñ÷ > 50 04 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002C1BE5EF730, 16 bytes long.
Data: <0 žñ÷ > 30 04 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002C1BE5EFC30, 16 bytes long.
Data: <à žñ÷ > E0 02 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002C1BE5EFE60, 16 bytes long.
Data: < žñ÷ > 10 04 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002C1BE5EFD70, 16 bytes long.
Data: <p žñ÷ > 70 04 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002C1BE5EF640, 16 bytes long.
Data: < Àœñ÷ > 18 C0 9C F1 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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