Task 38685128
| Name | test_669-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND6278_0 |
| Workunit | 31626612 |
| Created | 27 Oct 2026, 19:29:48 UTC |
| Sent | 27 Oct 2026, 19:29:57 UTC |
| Report deadline | 1 Nov 2026, 19:29:57 UTC |
| Received | 27 Oct 2026, 20:27:14 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 645443 |
| Run time | 47 min 9 sec |
| CPU time | 37 min 31 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 19,172.90 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 694.26 MB |
| Peak swap size | 3.89 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:42:17 (45420): wrapper (7.9.26016): starting
19:42:17 (45420): 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
19:42:27 (45420): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:42:27 (45420): 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
20:26:35 (45420): C:/Windows/system32/cmd.exe exited; CPU time 2251.859375
20:26:35 (45420): 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: 81525477 bytes.
Dumping objects ->
{3835267} normal block at 0x000001A579D4E7D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835256} normal block at 0x000001A579D4EED0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835245} normal block at 0x000001A579D4EF40, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835234} normal block at 0x000001A579D4ED80, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835223} normal block at 0x000001A579D4F5D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835192} normal block at 0x000001A57B983A90, 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) : {3835179} normal block at 0x000001A57B935040, 8 bytes long.
Data: < z¥ > 00 00 04 7A A5 01 00 00
{3833969} normal block at 0x000001A57B935EF0, 8 bytes long.
Data: <pM {¥ > 70 4D 9D 7B A5 01 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001A579D1C7F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001A579D16D00, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x000001A579D29AB0, 16 bytes long.
Data: <(ÅÒy¥ > 28 C5 D2 79 A5 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001A579D28ED0, 16 bytes long.
Data: < ÅÒy¥ > 00 C5 D2 79 A5 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001A579D25590, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x000001A579D29D30, 16 bytes long.
Data: <ØÄÒy¥ > D8 C4 D2 79 A5 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001A579D29650, 16 bytes long.
Data: <°ÄÒy¥ > B0 C4 D2 79 A5 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001A579D29420, 16 bytes long.
Data: < ÄÒy¥ > 88 C4 D2 79 A5 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001A579D299C0, 16 bytes long.
Data: <`ÄÒy¥ > 60 C4 D2 79 A5 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001A579D27030, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x000001A579D29150, 16 bytes long.
Data: <8¿Òy¥ > 38 BF D2 79 A5 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001A579D252F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x000001A579D29BF0, 16 bytes long.
Data: < ¿Òy¥ > 10 BF D2 79 A5 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001A579D293D0, 16 bytes long.
Data: <è¾Òy¥ > E8 BE D2 79 A5 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001A579D29A60, 16 bytes long.
Data: <À¾Òy¥ > C0 BE D2 79 A5 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001A579D28DE0, 16 bytes long.
Data: < ¾Òy¥ > 98 BE D2 79 A5 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001A579D295B0, 16 bytes long.
Data: <p¾Òy¥ > 70 BE D2 79 A5 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001A579D29380, 16 bytes long.
Data: <H¾Òy¥ > 48 BE D2 79 A5 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001A579D24D50, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x000001A579D292E0, 16 bytes long.
Data: < ¾Òy¥ > 20 BE D2 79 A5 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001A579D2BE20, 320 bytes long.
Data: <à’Òy¥ PMÒy¥ > E0 92 D2 79 A5 01 00 00 50 4D D2 79 A5 01 00 00
{280} normal block at 0x000001A579D29510, 16 bytes long.
Data: <@ÄÒy¥ > 40 C4 D2 79 A5 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001A579D29920, 16 bytes long.
Data: < ÄÒy¥ > 18 C4 D2 79 A5 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001A579D24C90, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x000001A579D29880, 16 bytes long.
Data: <ðÃÒy¥ > F0 C3 D2 79 A5 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001A579D257D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x000001A579D297E0, 16 bytes long.
Data: <8ÃÒy¥ > 38 C3 D2 79 A5 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001A579D296A0, 16 bytes long.
Data: < ÃÒy¥ > 10 C3 D2 79 A5 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001A579D29100, 16 bytes long.
Data: <èÂÒy¥ > E8 C2 D2 79 A5 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001A579D29010, 16 bytes long.
Data: <ÀÂÒy¥ > C0 C2 D2 79 A5 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001A579D28E30, 16 bytes long.
Data: < ÂÒy¥ > 98 C2 D2 79 A5 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001A579D28FC0, 16 bytes long.
Data: <pÂÒy¥ > 70 C2 D2 79 A5 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001A579D28F20, 16 bytes long.
Data: < nÒy¥ > 00 6E D2 79 A5 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001A579D26E00, 40 bytes long.
Data: < Òy¥ : {¥ > 20 8F D2 79 A5 01 00 00 90 3A 98 7B A5 01 00 00
{266} normal block at 0x000001A579D29740, 16 bytes long.
Data: <PÂÒy¥ > 50 C2 D2 79 A5 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001A579D28F70, 16 bytes long.
Data: <(ÂÒy¥ > 28 C2 D2 79 A5 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001A579D25290, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x000001A579D29CE0, 16 bytes long.
Data: < ÂÒy¥ > 00 C2 D2 79 A5 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001A579D2C200, 992 bytes long.
Data: <àœÒy¥ RÒy¥ > E0 9C D2 79 A5 01 00 00 90 52 D2 79 A5 01 00 00
{98} normal block at 0x000001A579D25530, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x000001A579D29470, 16 bytes long.
Data: <pnÒy¥ > 70 6E D2 79 A5 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x000001A579D26E70, 40 bytes long.
Data: <p”Òy¥ 0UÒy¥ > 70 94 D2 79 A5 01 00 00 30 55 D2 79 A5 01 00 00
{75} normal block at 0x000001A579D29A10, 16 bytes long.
Data: < ê ÷ > 80 EA 05 14 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001A579D1DB70, 16 bytes long.
Data: <@é ÷ > 40 E9 05 14 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001A579D1DA80, 16 bytes long.
Data: <øW ÷ > F8 57 02 14 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001A579D1D9E0, 16 bytes long.
Data: <ØW ÷ > D8 57 02 14 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001A579D1D990, 16 bytes long.
Data: <P ÷ > 50 04 02 14 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001A579D1D850, 16 bytes long.
Data: <0 ÷ > 30 04 02 14 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001A579D1E070, 16 bytes long.
Data: <à ÷ > E0 02 02 14 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001A579D1D940, 16 bytes long.
Data: < ÷ > 10 04 02 14 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001A579D1DB20, 16 bytes long.
Data: <p ÷ > 70 04 02 14 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001A579D1E020, 16 bytes long.
Data: < À ÷ > 18 C0 00 14 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra