Task 38669288
| Name | test_741-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND5122_1 |
| Workunit | 31610070 |
| Created | 25 Oct 2026, 14:09:45 UTC |
| Sent | 25 Oct 2026, 14:09:50 UTC |
| Report deadline | 30 Oct 2026, 14:09:50 UTC |
| Received | 25 Oct 2026, 14:32:43 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652945 |
| Run time | 22 min 24 sec |
| CPU time | 21 min 6 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 | 754.16 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>
15:10:46 (24176): wrapper (7.9.26016): starting
15:10:46 (24176): 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
15:10:47 (24176): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:10:47 (24176): 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
15:32:20 (24176): C:/Windows/system32/cmd.exe exited; CPU time 1266.671875
15:32:20 (24176): 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: 26853861 bytes.
Dumping objects ->
{3835496} normal block at 0x0000020AF11A1C30, 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 0x0000020AF11A1300, 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 0x0000020AF11A16F0, 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 0x0000020AF11A1990, 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 0x0000020AEF0F6AD0, 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 0x0000020AF110E090, 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 0x0000020AEF0F1A30, 8 bytes long.
Data: < ï > 00 00 01 EF 0A 02 00 00
{3833971} normal block at 0x0000020AEF0F1260, 8 bytes long.
Data: <Pä ï > 50 E4 1C EF 0A 02 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000020AEF0EC860, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000020AEF0E6CE0, 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 0x0000020AEF0FA260, 16 bytes long.
Data: <¸» ï > B8 BB 13 EF 0A 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000020AEF0F9BD0, 16 bytes long.
Data: < » ï > 90 BB 13 EF 0A 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000020AEF13B470, 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 0x0000020AEF0FA080, 16 bytes long.
Data: <h» ï > 68 BB 13 EF 0A 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000020AEF0F96D0, 16 bytes long.
Data: <@» ï > 40 BB 13 EF 0A 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000020AEF0F9A90, 16 bytes long.
Data: < » ï > 18 BB 13 EF 0A 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000020AEF0FA0D0, 16 bytes long.
Data: <ðº ï > F0 BA 13 EF 0A 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000020AEF0F6DE0, 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 0x0000020AEF0F9810, 16 bytes long.
Data: <x ï > 78 0E 0F EF 0A 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000020AEF13B0B0, 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 0x0000020AEF0FA5D0, 16 bytes long.
Data: <P ï > 50 0E 0F EF 0A 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000020AEF0FA530, 16 bytes long.
Data: <( ï > 28 0E 0F EF 0A 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000020AEF0F99F0, 16 bytes long.
Data: < ï > 00 0E 0F EF 0A 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000020AEF0F9B30, 16 bytes long.
Data: <Ø ï > D8 0D 0F EF 0A 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000020AEF0FA120, 16 bytes long.
Data: <° ï > B0 0D 0F EF 0A 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000020AEF0FA4E0, 16 bytes long.
Data: < ï > 88 0D 0F EF 0A 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000020AEF13B3B0, 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 0x0000020AEF0FA2B0, 16 bytes long.
Data: <` ï > 60 0D 0F EF 0A 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000020AEF0F0D60, 320 bytes long.
Data: <°¢ ï °³ ï > B0 A2 0F EF 0A 02 00 00 B0 B3 13 EF 0A 02 00 00
{281} normal block at 0x0000020AEF0FA030, 16 bytes long.
Data: <к ï > D0 BA 13 EF 0A 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000020AEF0F9F40, 16 bytes long.
Data: <¨º ï > A8 BA 13 EF 0A 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000020AEF13B230, 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 0x0000020AEF0FA440, 16 bytes long.
Data: < º ï > 80 BA 13 EF 0A 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000020AEF13B410, 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 0x0000020AEF0F9B80, 16 bytes long.
Data: <ȹ ï > C8 B9 13 EF 0A 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000020AEF0F9A40, 16 bytes long.
Data: < ¹ ï > A0 B9 13 EF 0A 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000020AEF0F9770, 16 bytes long.
Data: <x¹ ï > 78 B9 13 EF 0A 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000020AEF0FA3F0, 16 bytes long.
Data: <P¹ ï > 50 B9 13 EF 0A 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000020AEF0FA3A0, 16 bytes long.
Data: <(¹ ï > 28 B9 13 EF 0A 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000020AEF0F9DB0, 16 bytes long.
Data: < ¹ ï > 00 B9 13 EF 0A 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000020AEF0F9860, 16 bytes long.
Data: < m ï > 00 6D 0F EF 0A 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000020AEF0F6D00, 40 bytes long.
Data: <` ï à ñ > 60 98 0F EF 0A 02 00 00 90 E0 10 F1 0A 02 00 00
{267} normal block at 0x0000020AEF0FA580, 16 bytes long.
Data: <ภï > E0 B8 13 EF 0A 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000020AEF0FA490, 16 bytes long.
Data: <¸¸ ï > B8 B8 13 EF 0A 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000020AEF13B050, 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 0x0000020AEF0F9EA0, 16 bytes long.
Data: < ¸ ï > 90 B8 13 EF 0A 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000020AEF13B890, 992 bytes long.
Data: < ž ï P° ï > A0 9E 0F EF 0A 02 00 00 50 B0 13 EF 0A 02 00 00
{99} normal block at 0x0000020AEF0F26B0, 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 0x0000020AEF0F1490, 16 bytes long.
Data: <0h ï > 30 68 0F EF 0A 02 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x0000020AEF0F6830, 40 bytes long.
Data: < ï °& ï > 90 14 0F EF 0A 02 00 00 B0 26 0F EF 0A 02 00 00
{76} normal block at 0x0000020AEF0F1210, 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 0x0000020AEF0F1B20, 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 0x0000020AEF0F18F0, 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 0x0000020AEF0F1E40, 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 0x0000020AEF0F13A0, 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 0x0000020AEF0F19E0, 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 0x0000020AEF0F1AD0, 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 0x0000020AEF0F1120, 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 0x0000020AEF0F1800, 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 0x0000020AEF0F1DF0, 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>
]]>
©2026 Universitat Pompeu Fabra