Task 38680366
| Name | test_806-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND8652_0 |
| Workunit | 31622088 |
| Created | 26 Oct 2026, 23:42:08 UTC |
| Sent | 26 Oct 2026, 23:42:15 UTC |
| Report deadline | 31 Oct 2026, 23:42:15 UTC |
| Received | 27 Oct 2026, 1:56:36 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649275 |
| Run time | 39 min 3 sec |
| CPU time | 36 min 47 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,441.05 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 698.30 MB |
| Peak swap size | 2.95 GB |
| Peak disk usage | 4.06 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:46:26 (4796): wrapper (7.9.26016): starting
17:46:26 (4796): 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
17:46:28 (4796): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:46:28 (4796): 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\7\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\7\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.
18:28:30 (23620): wrapper (7.9.26016): starting
18:28:30 (23620): 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\7\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
18:56:17 (23620): C:/Windows/system32/cmd.exe exited; CPU time 1488.546875
18:56:17 (23620): 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: 26474270 bytes.
Dumping objects ->
{1593} normal block at 0x0000024B87986250, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1582} normal block at 0x0000024B879864F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1571} normal block at 0x0000024B87985F40, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1560} normal block at 0x0000024B879862C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1549} normal block at 0x0000024B87986100, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1518} normal block at 0x0000024B879785D0, 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) : {1505} normal block at 0x0000024B87985410, 8 bytes long.
Data: < K > 00 00 D4 87 4B 02 00 00
{303} normal block at 0x0000024B87984830, 8 bytes long.
Data: < @ K > C0 40 98 87 4B 02 00 00
{294} normal block at 0x0000024B879759C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x0000024B87985190, 16 bytes long.
Data: < ] K > 88 5D 98 87 4B 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000024B87984AB0, 16 bytes long.
Data: <`] K > 60 5D 98 87 4B 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000024B879802E0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x0000024B879855A0, 16 bytes long.
Data: <8] K > 38 5D 98 87 4B 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000024B87984EC0, 16 bytes long.
Data: < ] K > 10 5D 98 87 4B 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000024B87985460, 16 bytes long.
Data: < \ K > E8 5C 98 87 4B 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000024B87984BF0, 16 bytes long.
Data: < \ K > C0 5C 98 87 4B 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000024B879861E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x0000024B87985500, 16 bytes long.
Data: < K > 08 84 97 87 4B 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000024B879800A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x0000024B87984BA0, 16 bytes long.
Data: < K > E0 83 97 87 4B 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024B879850F0, 16 bytes long.
Data: < K > B8 83 97 87 4B 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000024B879846F0, 16 bytes long.
Data: < K > 90 83 97 87 4B 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024B879850A0, 16 bytes long.
Data: <h K > 68 83 97 87 4B 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000024B87984A10, 16 bytes long.
Data: <@ K > 40 83 97 87 4B 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000024B87984DD0, 16 bytes long.
Data: < K > 18 83 97 87 4B 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000024B8797FE60, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x0000024B87984A60, 16 bytes long.
Data: < K > F0 82 97 87 4B 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000024B879782F0, 320 bytes long.
Data: <`J K ` K > 60 4A 98 87 4B 02 00 00 60 FE 97 87 4B 02 00 00
{273} normal block at 0x0000024B87985050, 16 bytes long.
Data: < \ K > A0 5C 98 87 4B 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000024B879852D0, 16 bytes long.
Data: <x\ K > 78 5C 98 87 4B 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000024B879803A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x0000024B87984C40, 16 bytes long.
Data: <P\ K > 50 5C 98 87 4B 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000024B87980220, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x0000024B87985000, 16 bytes long.
Data: < [ K > 98 5B 98 87 4B 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024B87984D80, 16 bytes long.
Data: <p[ K > 70 5B 98 87 4B 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000024B87984FB0, 16 bytes long.
Data: <H[ K > 48 5B 98 87 4B 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000024B87984D30, 16 bytes long.
Data: < [ K > 20 5B 98 87 4B 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000024B87985550, 16 bytes long.
Data: < Z K > F8 5A 98 87 4B 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000024B87984E70, 16 bytes long.
Data: < Z K > D0 5A 98 87 4B 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000024B87984C90, 16 bytes long.
Data: < K > F0 E3 96 87 4B 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000024B8796E3F0, 40 bytes long.
Data: < L K K > 90 4C 98 87 4B 02 00 00 D0 85 97 87 4B 02 00 00
{259} normal block at 0x0000024B87984F60, 16 bytes long.
Data: < Z K > B0 5A 98 87 4B 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000024B87984E20, 16 bytes long.
Data: < Z K > 88 5A 98 87 4B 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000024B8797FC80, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x0000024B87985140, 16 bytes long.
Data: <`Z K > 60 5A 98 87 4B 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000024B87985A60, 992 bytes long.
Data: <@Q K K > 40 51 98 87 4B 02 00 00 80 FC 97 87 4B 02 00 00
{91} normal block at 0x0000024B8797F5C0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x0000024B8797E600, 16 bytes long.
Data: <0 K > 30 C1 96 87 4B 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x0000024B8796C130, 40 bytes long.
Data: < K K > 00 E6 97 87 4B 02 00 00 C0 F5 97 87 4B 02 00 00
{68} normal block at 0x0000024B8797F1E0, 16 bytes long.
Data: < j > 80 EA 6A A6 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000024B8797F320, 16 bytes long.
Data: <@ j > 40 E9 6A A6 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000024B8797EEC0, 16 bytes long.
Data: < Wg > F8 57 67 A6 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000024B8797E5B0, 16 bytes long.
Data: < Wg > D8 57 67 A6 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000024B8797F410, 16 bytes long.
Data: <P g > 50 04 67 A6 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000024B8797F500, 16 bytes long.
Data: <0 g > 30 04 67 A6 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000024B8797F190, 16 bytes long.
Data: < g > E0 02 67 A6 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000024B8797F050, 16 bytes long.
Data: < g > 10 04 67 A6 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000024B8797E830, 16 bytes long.
Data: <p g > 70 04 67 A6 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000024B8797EF10, 16 bytes long.
Data: < e > 18 C0 65 A6 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra