Task 38696495
| Name | test_499-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND2138_0 |
| Workunit | 31637126 |
| Created | 1 Nov 2026, 0:34:37 UTC |
| Sent | 1 Nov 2026, 0:34:42 UTC |
| Report deadline | 6 Nov 2026, 0:34:42 UTC |
| Received | 1 Nov 2026, 3:24:10 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 655054 |
| Run time | 45 min 31 sec |
| CPU time | 42 min 48 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 17,037.35 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 766.79 MB |
| Peak swap size | 12.96 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
03:18:56 (8284): wrapper (7.9.26016): starting
03:18:56 (8284): 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
03:18:59 (8284): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:18:59 (8284): 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:\boinc\slots\5\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:\boinc\slots\5\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) : {3835212} normal block at 0x0000028608BDED70, 8 bytes long.
Data: < > 00 00 12 09 86 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833940} normal block at 0x000002860AB04830, 1080 bytes long.
Data: < ( x > A0 28 00 00 CD CD CD CD 78 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x0000028608BD5160, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
03:38:58 (17908): wrapper (7.9.26016): starting
03:38:58 (17908): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\boinc\slots\5\tmp existe d‚j….
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
04:04:11 (17908): C:/Windows/system32/cmd.exe exited; CPU time 1490.468750
04:04:11 (17908): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 24509312 bytes.
Dumping objects ->
{1663} normal block at 0x0000027ED86C4960, 48 bytes long.
Data: <PATH=C:\boinc\sl> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C
{1652} normal block at 0x0000027ED86BF7C0, 32 bytes long.
Data: <HOME=C:\boinc\sl> 48 4F 4D 45 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C
{1641} normal block at 0x0000027ED86BFF40, 32 bytes long.
Data: <TMP=C:\boinc\slo> 54 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 6F
{1630} normal block at 0x0000027ED86BFC40, 32 bytes long.
Data: <TEMP=C:\boinc\sl> 54 45 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C
{1619} normal block at 0x0000027ED86BFD60, 32 bytes long.
Data: <TMPDIR=C:\boinc\> 54 4D 50 44 49 52 3D 43 3A 5C 62 6F 69 6E 63 5C
{1588} normal block at 0x0000027ED86C4730, 48 bytes long.
Data: <PATH=C:\boinc\sl> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C
{1577} normal block at 0x0000027ED86AB4C0, 102 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) : {1574} normal block at 0x0000027ED86C55E0, 8 bytes long.
Data: < ~ > 00 00 C1 D8 7E 02 00 00
{935} normal block at 0x0000027ED86AD240, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{303} normal block at 0x0000027ED86C59A0, 8 bytes long.
Data: <Pel ~ > 50 65 6C D8 7E 02 00 00
{294} normal block at 0x0000027ED86B6260, 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 0x0000027ED86C6300, 16 bytes long.
Data: <HTl ~ > 48 54 6C D8 7E 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000027ED86C5B30, 16 bytes long.
Data: < Tl ~ > 20 54 6C D8 7E 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000027ED86BF640, 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 0x0000027ED86C5E50, 16 bytes long.
Data: < Sl ~ > F8 53 6C D8 7E 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000027ED86C5DB0, 16 bytes long.
Data: < Sl ~ > D0 53 6C D8 7E 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000027ED86C5E00, 16 bytes long.
Data: < Sl ~ > A8 53 6C D8 7E 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000027ED86C6030, 16 bytes long.
Data: < Sl ~ > 80 53 6C D8 7E 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000027ED86C4650, 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 0x0000027ED86C5900, 16 bytes long.
Data: < k ~ > 18 8E 6B D8 7E 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000027ED86BF5E0, 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 0x0000027ED86C5F90, 16 bytes long.
Data: < k ~ > F0 8D 6B D8 7E 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000027ED86C5D60, 16 bytes long.
Data: < k ~ > C8 8D 6B D8 7E 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000027ED86C5F40, 16 bytes long.
Data: < k ~ > A0 8D 6B D8 7E 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000027ED86C6490, 16 bytes long.
Data: <x k ~ > 78 8D 6B D8 7E 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000027ED86C5950, 16 bytes long.
Data: <P k ~ > 50 8D 6B D8 7E 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000027ED86C5860, 16 bytes long.
Data: <( k ~ > 28 8D 6B D8 7E 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000027ED86BFD00, 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 0x0000027ED86C6170, 16 bytes long.
Data: < k ~ > 00 8D 6B D8 7E 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000027ED86B8D00, 320 bytes long.
Data: <pal ~ k ~ > 70 61 6C D8 7E 02 00 00 00 FD 6B D8 7E 02 00 00
{273} normal block at 0x0000027ED86C6080, 16 bytes long.
Data: <`Sl ~ > 60 53 6C D8 7E 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000027ED86C61C0, 16 bytes long.
Data: <8Sl ~ > 38 53 6C D8 7E 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000027ED86BF8E0, 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 0x0000027ED86C59F0, 16 bytes long.
Data: < Sl ~ > 10 53 6C D8 7E 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000027ED86BF6A0, 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 0x0000027ED86C5A90, 16 bytes long.
Data: <XRl ~ > 58 52 6C D8 7E 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000027ED86C5AE0, 16 bytes long.
Data: <0Rl ~ > 30 52 6C D8 7E 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000027ED86C58B0, 16 bytes long.
Data: < Rl ~ > 08 52 6C D8 7E 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000027ED86C5590, 16 bytes long.
Data: < Ql ~ > E0 51 6C D8 7E 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000027ED86C5BD0, 16 bytes long.
Data: < Ql ~ > B8 51 6C D8 7E 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000027ED86BE390, 16 bytes long.
Data: < Ql ~ > 90 51 6C D8 7E 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000027ED86BEE80, 16 bytes long.
Data: < Fl ~ > C0 46 6C D8 7E 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000027ED86C46C0, 40 bytes long.
Data: < k ~ 0Gl ~ > 80 EE 6B D8 7E 02 00 00 30 47 6C D8 7E 02 00 00
{259} normal block at 0x0000027ED86BEDE0, 16 bytes long.
Data: <pQl ~ > 70 51 6C D8 7E 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000027ED86BED90, 16 bytes long.
Data: <HQl ~ > 48 51 6C D8 7E 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000027ED86BFE80, 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 0x0000027ED86BEB60, 16 bytes long.
Data: < Ql ~ > 20 51 6C D8 7E 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000027ED86C5120, 992 bytes long.
Data: <` k ~ k ~ > 60 EB 6B D8 7E 02 00 00 80 FE 6B D8 7E 02 00 00
{91} normal block at 0x0000027ED86C0000, 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 0x0000027ED86BEED0, 16 bytes long.
Data: < j ~ > 20 EE 6A D8 7E 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x0000027ED86AEE20, 40 bytes long.
Data: < k ~ l ~ > D0 EE 6B D8 7E 02 00 00 00 00 6C D8 7E 02 00 00
{68} normal block at 0x0000027ED86BE6B0, 16 bytes long.
Data: < 6 > 80 EA 0C 36 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000027ED86BE9D0, 16 bytes long.
Data: <@ 6 > 40 E9 0C 36 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000027ED86BE3E0, 16 bytes long.
Data: < W 6 > F8 57 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000027ED86BE890, 16 bytes long.
Data: < W 6 > D8 57 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000027ED86BE660, 16 bytes long.
Data: <P 6 > 50 04 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000027ED86BE7F0, 16 bytes long.
Data: <0 6 > 30 04 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000027ED86BE4D0, 16 bytes long.
Data: < 6 > E0 02 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000027ED86BEA20, 16 bytes long.
Data: < 6 > 10 04 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000027ED86BE520, 16 bytes long.
Data: <p 6 > 70 04 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000027ED86BE570, 16 bytes long.
Data: < 6 > 18 C0 07 36 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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