Task 38678938
| Name | test_48-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND5772_0 |
| Workunit | 31620738 |
| Created | 26 Oct 2026, 18:56:21 UTC |
| Sent | 26 Oct 2026, 18:56:26 UTC |
| Report deadline | 31 Oct 2026, 18:56:26 UTC |
| Received | 26 Oct 2026, 23:44:27 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651831 |
| Run time | 31 min 31 sec |
| CPU time | 27 min 18 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 19,472.42 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 739.09 MB |
| Peak swap size | 12.93 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:57:44 (6716): wrapper (7.9.26016): starting
14:57:44 (6716): 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
14:57:47 (6716): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:57:47 (6716): 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\30\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\30\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.
19:14:57 (24400): wrapper (7.9.26016): starting
19:14:57 (24400): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\30\tmp already exists.
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
19:43:45 (24400): C:/Windows/system32/cmd.exe exited; CPU time 1570.812500
19:43:45 (24400): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 30676383 bytes.
Dumping objects ->
{1880} normal block at 0x00000252D7344BD0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1869} normal block at 0x00000252D7344E70, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1858} normal block at 0x00000252D7344D20, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1847} normal block at 0x00000252D7344F50, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1836} normal block at 0x00000252D7344D90, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1805} normal block at 0x00000252D7339110, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1794} normal block at 0x00000252D732B6C0, 140 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) : {1791} normal block at 0x00000252D7346180, 8 bytes long.
Data: < R > 00 00 7F D7 52 02 00 00
{1039} normal block at 0x00000252D7344420, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{307} normal block at 0x00000252D7346220, 8 bytes long.
Data: <@h4 R > 40 68 34 D7 52 02 00 00
{298} normal block at 0x00000252D7335F70, 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 0x00000252D7345B90, 16 bytes long.
Data: <Hg4 R > 48 67 34 D7 52 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000252D7345BE0, 16 bytes long.
Data: < g4 R > 20 67 34 D7 52 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000252D7340100, 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 0x00000252D7345690, 16 bytes long.
Data: < f4 R > F8 66 34 D7 52 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000252D7346130, 16 bytes long.
Data: < f4 R > D0 66 34 D7 52 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000252D73460E0, 16 bytes long.
Data: < f4 R > A8 66 34 D7 52 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000252D7346090, 16 bytes long.
Data: < f4 R > 80 66 34 D7 52 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000252D7344A80, 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 0x00000252D7345D20, 16 bytes long.
Data: < 3 R > A8 E7 33 D7 52 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000252D73404C0, 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 0x00000252D7345500, 16 bytes long.
Data: < 3 R > 80 E7 33 D7 52 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000252D7345FF0, 16 bytes long.
Data: <X 3 R > 58 E7 33 D7 52 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000252D7345780, 16 bytes long.
Data: <0 3 R > 30 E7 33 D7 52 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000252D7346040, 16 bytes long.
Data: < 3 R > 08 E7 33 D7 52 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000252D73461D0, 16 bytes long.
Data: < 3 R > E0 E6 33 D7 52 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000252D7345FA0, 16 bytes long.
Data: < 3 R > B8 E6 33 D7 52 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000252D7340340, 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 0x00000252D7345D70, 16 bytes long.
Data: < 3 R > 90 E6 33 D7 52 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000252D733E690, 320 bytes long.
Data: <p]4 R @ 4 R > 70 5D 34 D7 52 02 00 00 40 03 34 D7 52 02 00 00
{277} normal block at 0x00000252D7345F00, 16 bytes long.
Data: <`f4 R > 60 66 34 D7 52 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000252D7345F50, 16 bytes long.
Data: <8f4 R > 38 66 34 D7 52 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000252D733FF20, 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 0x00000252D73455A0, 16 bytes long.
Data: < f4 R > 10 66 34 D7 52 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000252D733FB60, 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 0x00000252D7345460, 16 bytes long.
Data: <Xe4 R > 58 65 34 D7 52 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000252D73454B0, 16 bytes long.
Data: <0e4 R > 30 65 34 D7 52 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000252D7345EB0, 16 bytes long.
Data: < e4 R > 08 65 34 D7 52 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000252D7345E60, 16 bytes long.
Data: < d4 R > E0 64 34 D7 52 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000252D7345AF0, 16 bytes long.
Data: < d4 R > B8 64 34 D7 52 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000252D7345C80, 16 bytes long.
Data: < d4 R > 90 64 34 D7 52 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000252D7345730, 16 bytes long.
Data: < N4 R > 00 4E 34 D7 52 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000252D7344E00, 40 bytes long.
Data: <0W4 R 3 R > 30 57 34 D7 52 02 00 00 10 91 33 D7 52 02 00 00
{263} normal block at 0x00000252D7345B40, 16 bytes long.
Data: <pd4 R > 70 64 34 D7 52 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000252D73456E0, 16 bytes long.
Data: <Hd4 R > 48 64 34 D7 52 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000252D7340280, 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 0x00000252D7346310, 16 bytes long.
Data: < d4 R > 20 64 34 D7 52 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000252D7346420, 992 bytes long.
Data: < c4 R 4 R > 10 63 34 D7 52 02 00 00 80 02 34 D7 52 02 00 00
{95} normal block at 0x00000252D7340700, 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 0x00000252D733E9B0, 16 bytes long.
Data: <@ 2 R > 40 D4 32 D7 52 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x00000252D732D440, 40 bytes long.
Data: < 3 R 4 R > B0 E9 33 D7 52 02 00 00 00 07 34 D7 52 02 00 00
{72} normal block at 0x00000252D733E960, 16 bytes long.
Data: < > 80 EA D7 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000252D733F770, 16 bytes long.
Data: <@ > 40 E9 D7 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000252D733EB40, 16 bytes long.
Data: < W > F8 57 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000252D733EEB0, 16 bytes long.
Data: < W > D8 57 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000252D733EFA0, 16 bytes long.
Data: <P > 50 04 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000252D733F7C0, 16 bytes long.
Data: <0 > 30 04 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000252D733EB90, 16 bytes long.
Data: < > E0 02 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000252D733EE60, 16 bytes long.
Data: < > 10 04 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000252D733F860, 16 bytes long.
Data: <p > 70 04 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000252D733ED70, 16 bytes long.
Data: < > 18 C0 D2 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra