Task 38690579
| Name | test_415-GPUGRID_TEST_ATM_40STEP_20261023-1-40-RND0357_1 |
| Workunit | 31597894 |
| Created | 29 Oct 2026, 6:41:34 UTC |
| Sent | 29 Oct 2026, 6:41:38 UTC |
| Report deadline | 3 Nov 2026, 6:41:38 UTC |
| Received | 2 Nov 2026, 14:35:09 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652307 |
| Run time | 40 min 59 sec |
| CPU time | 39 min 1 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 15,409.70 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 711.12 MB |
| Peak swap size | 9.81 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
08:22:42 (12856): wrapper (7.9.26016): starting
08:22:42 (12856): 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
08:22:44 (12856): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:22:44 (12856): 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\13\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\13\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) : {3835284} normal block at 0x000001F213A6E500, 8 bytes long.
Data: < > 00 00 E6 13 F2 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833952} normal block at 0x000001F2157887A0, 1080 bytes long.
Data: < : > 00 3A 00 00 CD CD CD CD B8 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001F213A702F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:23:39 (17524): wrapper (7.9.26016): starting
15:23:39 (17524): 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\13\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
15:32:32 (17524): C:/Windows/system32/cmd.exe exited; CPU time 459.265625
15:32:32 (17524): 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: 8080149 bytes.
Dumping objects ->
{1721} normal block at 0x0000012576AE5C30, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1710} normal block at 0x0000012576AE6090, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1699} normal block at 0x0000012576AE5B50, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1688} normal block at 0x0000012576AE5AE0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1677} normal block at 0x0000012576AE5A70, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1646} normal block at 0x0000012576ACB4D0, 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) : {1633} normal block at 0x0000012576AE5020, 8 bytes long.
Data: < v% > 00 00 F9 76 25 01 00 00
{302} normal block at 0x0000012576AE4C60, 8 bytes long.
Data: < a v% > C0 61 AE 76 25 01 00 00
{293} normal block at 0x0000012576AD7230, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x0000012576AE52F0, 16 bytes long.
Data: < X v% > B8 58 AE 76 25 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000012576AE4620, 16 bytes long.
Data: < X v% > 90 58 AE 76 25 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000012576ADF8A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x0000012576AE4B70, 16 bytes long.
Data: <hX v% > 68 58 AE 76 25 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000012576AE48A0, 16 bytes long.
Data: <@X v% > 40 58 AE 76 25 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000012576AE5390, 16 bytes long.
Data: < X v% > 18 58 AE 76 25 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000012576AE4AD0, 16 bytes long.
Data: < W v% > F0 57 AE 76 25 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000012576AE5D80, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x0000012576AE49E0, 16 bytes long.
Data: <h v% > 68 B4 AC 76 25 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000012576ADF780, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x0000012576AE5070, 16 bytes long.
Data: <@ v% > 40 B4 AC 76 25 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000012576AE4760, 16 bytes long.
Data: < v% > 18 B4 AC 76 25 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000012576AE4FD0, 16 bytes long.
Data: < v% > F0 B3 AC 76 25 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000012576AE4A30, 16 bytes long.
Data: < v% > C8 B3 AC 76 25 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000012576AE53E0, 16 bytes long.
Data: < v% > A0 B3 AC 76 25 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000012576AE4A80, 16 bytes long.
Data: <x v% > 78 B3 AC 76 25 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000012576ADF720, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x0000012576AE5250, 16 bytes long.
Data: <P v% > 50 B3 AC 76 25 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000012576ACB350, 320 bytes long.
Data: <PR v% v% > 50 52 AE 76 25 01 00 00 20 F7 AD 76 25 01 00 00
{272} normal block at 0x0000012576AE46C0, 16 bytes long.
Data: < W v% > D0 57 AE 76 25 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000012576AE4B20, 16 bytes long.
Data: < W v% > A8 57 AE 76 25 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000012576ADF3C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x0000012576AE4D00, 16 bytes long.
Data: < W v% > 80 57 AE 76 25 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000012576ADF060, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x0000012576AE4C10, 16 bytes long.
Data: < V v% > C8 56 AE 76 25 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000012576AE4990, 16 bytes long.
Data: < V v% > A0 56 AE 76 25 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000012576AE4850, 16 bytes long.
Data: <xV v% > 78 56 AE 76 25 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000012576AE4670, 16 bytes long.
Data: <PV v% > 50 56 AE 76 25 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000012576AE45D0, 16 bytes long.
Data: <(V v% > 28 56 AE 76 25 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000012576AE4BC0, 16 bytes long.
Data: < V v% > 00 56 AE 76 25 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000012576AE4DA0, 16 bytes long.
Data: < v% > 10 DD AD 76 25 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000012576ADDD10, 40 bytes long.
Data: < M v% v% > A0 4D AE 76 25 01 00 00 D0 B4 AC 76 25 01 00 00
{258} normal block at 0x0000012576AE5200, 16 bytes long.
Data: < U v% > E0 55 AE 76 25 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000012576AE4800, 16 bytes long.
Data: < U v% > B8 55 AE 76 25 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000012576ADF6C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x0000012576AE4710, 16 bytes long.
Data: < U v% > 90 55 AE 76 25 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000012576AE5590, 992 bytes long.
Data: < G v% v% > 10 47 AE 76 25 01 00 00 C0 F6 AD 76 25 01 00 00
{90} normal block at 0x0000012576ADF840, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x0000012576ADDF00, 16 bytes long.
Data: < v% > 10 C2 AC 76 25 01 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x0000012576ACC210, 40 bytes long.
Data: < v% @ v% > 00 DF AD 76 25 01 00 00 40 F8 AD 76 25 01 00 00
{67} normal block at 0x0000012576ADE9F0, 16 bytes long.
Data: < g > 80 EA 87 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000012576ADE770, 16 bytes long.
Data: <@ g > 40 E9 87 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000012576ADEB30, 16 bytes long.
Data: < W g > F8 57 84 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000012576ADEA40, 16 bytes long.
Data: < W g > D8 57 84 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000012576ADDE60, 16 bytes long.
Data: <P g > 50 04 84 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000012576ADE3B0, 16 bytes long.
Data: <0 g > 30 04 84 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000012576ADE630, 16 bytes long.
Data: < g > E0 02 84 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000012576ADDE10, 16 bytes long.
Data: < g > 10 04 84 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000012576ADEBD0, 16 bytes long.
Data: <p g > 70 04 84 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000012576ADE130, 16 bytes long.
Data: < g > 18 C0 82 67 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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