Task 38655008
| Name | test_727-GPUGRID_TEST_ATM_40STEP_20261023-2-40-RND1308_0 |
| Workunit | 31598789 |
| Created | 24 Oct 2026, 8:15:24 UTC |
| Sent | 24 Oct 2026, 8:15:30 UTC |
| Report deadline | 29 Oct 2026, 8:15:30 UTC |
| Received | 24 Oct 2026, 12:50:43 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 647196 |
| Run time | 1 hours 37 min 19 sec |
| CPU time | 1 hours 24 min 10 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,219.62 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 738.80 MB |
| Peak swap size | 6.89 GB |
| Peak disk usage | 4.07 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:14:22 (10484): wrapper (7.9.26016): starting
05:14:22 (10484): 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
05:14:36 (10484): Library/usr/bin/tar.exe exited; CPU time 0.375000
05:14:36 (10484): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835340} normal block at 0x00000275395EFA30, 8 bytes long.
Data: < Y9u > 00 00 59 39 75 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833956} normal block at 0x000002753B2C4100, 1080 bytes long.
Data: < + ` > C0 2B 00 00 CD CD CD CD 60 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000275395E6070, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
06:47:25 (30020): wrapper (7.9.26016): starting
06:47:25 (30020): 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\0\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
07:50:04 (30020): C:/Windows/system32/cmd.exe exited; CPU time 3413.046875
07:50:04 (30020): 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: 67623624 bytes.
Dumping objects ->
{1775} normal block at 0x0000024407C74A00, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1764} normal block at 0x0000024407C74920, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1753} normal block at 0x0000024407C74760, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1742} normal block at 0x0000024407C748B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1731} normal block at 0x0000024407C74840, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1700} normal block at 0x0000024407C5D6A0, 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) : {1687} normal block at 0x0000024407C75920, 8 bytes long.
Data: < D > 00 00 0E 08 44 02 00 00
{304} normal block at 0x0000024407C75B00, 8 bytes long.
Data: < g D > B0 67 C7 07 44 02 00 00
{295} normal block at 0x0000024407C67060, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x0000024407C75AB0, 16 bytes long.
Data: < f D > B8 66 C7 07 44 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000024407C75BF0, 16 bytes long.
Data: < f D > 90 66 C7 07 44 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000024407C707B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x0000024407C756F0, 16 bytes long.
Data: <hf D > 68 66 C7 07 44 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000024407C75A60, 16 bytes long.
Data: <@f D > 40 66 C7 07 44 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000024407C755B0, 16 bytes long.
Data: < f D > 18 66 C7 07 44 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000024407C75BA0, 16 bytes long.
Data: < e D > F0 65 C7 07 44 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000024407C74A70, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x0000024407C761E0, 16 bytes long.
Data: < D > 98 F9 C5 07 44 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000024407C70F90, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x0000024407C75600, 16 bytes long.
Data: <p D > 70 F9 C5 07 44 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024407C758D0, 16 bytes long.
Data: <H D > 48 F9 C5 07 44 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024407C75A10, 16 bytes long.
Data: < D > 20 F9 C5 07 44 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000024407C75E70, 16 bytes long.
Data: < D > F8 F8 C5 07 44 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024407C76140, 16 bytes long.
Data: < D > D0 F8 C5 07 44 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000024407C75880, 16 bytes long.
Data: < D > A8 F8 C5 07 44 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000024407C71290, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x0000024407C75B50, 16 bytes long.
Data: < D > 80 F8 C5 07 44 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000024407C5F880, 320 bytes long.
Data: <P[ D D > 50 5B C7 07 44 02 00 00 90 12 C7 07 44 02 00 00
{274} normal block at 0x0000024407C75D80, 16 bytes long.
Data: < e D > D0 65 C7 07 44 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000024407C75510, 16 bytes long.
Data: < e D > A8 65 C7 07 44 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000024407C70CF0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x0000024407C75D30, 16 bytes long.
Data: < e D > 80 65 C7 07 44 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000024407C709F0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x0000024407C76280, 16 bytes long.
Data: < d D > C8 64 C7 07 44 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000024407C75830, 16 bytes long.
Data: < d D > A0 64 C7 07 44 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024407C759C0, 16 bytes long.
Data: <xd D > 78 64 C7 07 44 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000024407C75F60, 16 bytes long.
Data: <Pd D > 50 64 C7 07 44 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000024407C75DD0, 16 bytes long.
Data: <(d D > 28 64 C7 07 44 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000024407C75CE0, 16 bytes long.
Data: < d D > 00 64 C7 07 44 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000024407C756A0, 16 bytes long.
Data: < I D > 90 49 C7 07 44 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000024407C74990, 40 bytes long.
Data: < V D D > A0 56 C7 07 44 02 00 00 A0 D6 C5 07 44 02 00 00
{260} normal block at 0x0000024407C75420, 16 bytes long.
Data: < c D > E0 63 C7 07 44 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000024407C75E20, 16 bytes long.
Data: < c D > B8 63 C7 07 44 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000024407C70990, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x0000024407C760F0, 16 bytes long.
Data: < c D > 90 63 C7 07 44 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000024407C76390, 992 bytes long.
Data: < ` D D > F0 60 C7 07 44 02 00 00 90 09 C7 07 44 02 00 00
{92} normal block at 0x0000024407C70750, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x0000024407C6FA00, 16 bytes long.
Data: <0 D > 30 D6 C5 07 44 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000024407C5D630, 40 bytes long.
Data: < D P D > 00 FA C6 07 44 02 00 00 50 07 C7 07 44 02 00 00
{69} normal block at 0x0000024407C6FD70, 16 bytes long.
Data: < : > 80 EA 3A 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000024407C6FAA0, 16 bytes long.
Data: <@ : > 40 E9 3A 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000024407C6FE10, 16 bytes long.
Data: < W7 > F8 57 37 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000024407C6FC80, 16 bytes long.
Data: < W7 > D8 57 37 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000024407C6F780, 16 bytes long.
Data: <P 7 > 50 04 37 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000024407C6F960, 16 bytes long.
Data: <0 7 > 30 04 37 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000024407C6F8C0, 16 bytes long.
Data: < 7 > E0 02 37 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000024407C6FDC0, 16 bytes long.
Data: < 7 > 10 04 37 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000024407C6FF00, 16 bytes long.
Data: <p 7 > 70 04 37 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000024407C6F730, 16 bytes long.
Data: < 5 > 18 C0 35 82 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra