Task 38671090
| Name | test_128-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND4886_0 |
| Workunit | 31613309 |
| Created | 25 Oct 2026, 19:30:32 UTC |
| Sent | 25 Oct 2026, 19:30:38 UTC |
| Report deadline | 30 Oct 2026, 19:30:38 UTC |
| Received | 26 Oct 2026, 1:16:52 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 638123 |
| Run time | 32 min 55 sec |
| CPU time | 31 min 9 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 11,615.78 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 719.72 MB |
| Peak swap size | 9.92 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
20:43:58 (23336): wrapper (7.9.26016): starting
20:43:58 (23336): 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
20:43:59 (23336): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:43:59 (23336): 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\2\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\2\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
21:16:14 (23336): C:/Windows/system32/cmd.exe exited; CPU time 1869.687500
21:16:14 (23336): 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: 40075623 bytes.
Dumping objects ->
{3835478} normal block at 0x0000024BEEB5D960, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835467} normal block at 0x0000024BEEB5D2D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835456} normal block at 0x0000024BEEB5DA40, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835445} normal block at 0x0000024BECE74D30, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835434} normal block at 0x0000024BECE74DA0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835403} normal block at 0x0000024BEEBAB050, 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) : {3835390} normal block at 0x0000024BECE70D80, 8 bytes long.
Data: < 2íK > 00 00 32 ED 4B 02 00 00
{3833961} normal block at 0x0000024BECE70EC0, 8 bytes long.
Data: <0SÃîK > 30 53 C3 EE 4B 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000024BECE66710, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000024BECE676F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x0000024BECE764A0, 16 bytes long.
Data: <ØVçìK > D8 56 E7 EC 4B 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000024BECE75F00, 16 bytes long.
Data: <°VçìK > B0 56 E7 EC 4B 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000024BECE707C0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x0000024BECE75FF0, 16 bytes long.
Data: < VçìK > 88 56 E7 EC 4B 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000024BECE766D0, 16 bytes long.
Data: <`VçìK > 60 56 E7 EC 4B 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000024BECE76310, 16 bytes long.
Data: <8VçìK > 38 56 E7 EC 4B 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000024BECE76770, 16 bytes long.
Data: < VçìK > 10 56 E7 EC 4B 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000024BECE74860, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x0000024BECE75E10, 16 bytes long.
Data: < ¹åìK > 08 B9 E5 EC 4B 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000024BECE70460, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x0000024BECE765E0, 16 bytes long.
Data: <à¸åìK > E0 B8 E5 EC 4B 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000024BECE76540, 16 bytes long.
Data: <¸¸åìK > B8 B8 E5 EC 4B 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000024BECE762C0, 16 bytes long.
Data: < ¸åìK > 90 B8 E5 EC 4B 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024BECE763B0, 16 bytes long.
Data: <h¸åìK > 68 B8 E5 EC 4B 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024BECE75FA0, 16 bytes long.
Data: <@¸åìK > 40 B8 E5 EC 4B 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000024BECE75E60, 16 bytes long.
Data: < ¸åìK > 18 B8 E5 EC 4B 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024BECE70760, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x0000024BECE75A50, 16 bytes long.
Data: <ð·åìK > F0 B7 E5 EC 4B 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000024BECE5B7F0, 320 bytes long.
Data: <PZçìK ` çìK > 50 5A E7 EC 4B 02 00 00 60 07 E7 EC 4B 02 00 00
{276} normal block at 0x0000024BECE75820, 16 bytes long.
Data: <ðUçìK > F0 55 E7 EC 4B 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000024BECE75D20, 16 bytes long.
Data: <ÈUçìK > C8 55 E7 EC 4B 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000024BECE70340, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x0000024BECE75BE0, 16 bytes long.
Data: < UçìK > A0 55 E7 EC 4B 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000024BECE70220, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x0000024BECE76360, 16 bytes long.
Data: <èTçìK > E8 54 E7 EC 4B 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000024BECE76270, 16 bytes long.
Data: <ÀTçìK > C0 54 E7 EC 4B 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000024BECE764F0, 16 bytes long.
Data: < TçìK > 98 54 E7 EC 4B 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000024BECE76220, 16 bytes long.
Data: <pTçìK > 70 54 E7 EC 4B 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024BECE75F50, 16 bytes long.
Data: <HTçìK > 48 54 E7 EC 4B 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000024BECE71820, 16 bytes long.
Data: < TçìK > 20 54 E7 EC 4B 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000024BECE717D0, 16 bytes long.
Data: <ðNçìK > F0 4E E7 EC 4B 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000024BECE74EF0, 40 bytes long.
Data: <Ð çìK P°ºîK > D0 17 E7 EC 4B 02 00 00 50 B0 BA EE 4B 02 00 00
{262} normal block at 0x0000024BECE70B00, 16 bytes long.
Data: < TçìK > 00 54 E7 EC 4B 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000024BECE71780, 16 bytes long.
Data: <ØSçìK > D8 53 E7 EC 4B 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000024BECE703A0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x0000024BECE71190, 16 bytes long.
Data: <°SçìK > B0 53 E7 EC 4B 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000024BECE753B0, 992 bytes long.
Data: < çìK   çìK > 90 11 E7 EC 4B 02 00 00 A0 03 E7 EC 4B 02 00 00
{94} normal block at 0x0000024BECE70100, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x0000024BECE70E70, 16 bytes long.
Data: < KçìK > 00 4B E7 EC 4B 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000024BECE74B00, 40 bytes long.
Data: <p çìK çìK > 70 0E E7 EC 4B 02 00 00 00 01 E7 EC 4B 02 00 00
{71} normal block at 0x0000024BECE70920, 16 bytes long.
Data: < ê ;÷ > 80 EA 98 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000024BECE709C0, 16 bytes long.
Data: <@é ;÷ > 40 E9 98 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000024BECE71550, 16 bytes long.
Data: <øW•;÷ > F8 57 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000024BECE715A0, 16 bytes long.
Data: <ØW•;÷ > D8 57 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000024BECE70A10, 16 bytes long.
Data: <P •;÷ > 50 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000024BECE712D0, 16 bytes long.
Data: <0 •;÷ > 30 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000024BECE711E0, 16 bytes long.
Data: <à •;÷ > E0 02 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000024BECE70D30, 16 bytes long.
Data: < •;÷ > 10 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000024BECE71280, 16 bytes long.
Data: <p •;÷ > 70 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000024BECE70A60, 16 bytes long.
Data: < À“;÷ > 18 C0 93 3B F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra