Task 38662445
| Name | test_892-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND4337_1 |
| Workunit | 31605620 |
| Created | 24 Oct 2026, 19:12:20 UTC |
| Sent | 24 Oct 2026, 19:12:34 UTC |
| Report deadline | 29 Oct 2026, 19:12:34 UTC |
| Received | 26 Oct 2026, 7:53:56 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 494803 |
| Run time | 38 min 55 sec |
| CPU time | 29 min 56 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,067.36 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 667.96 MB |
| Peak swap size | 3.80 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:41:19 (11244): wrapper (7.9.26016): starting
21:41:19 (11244): 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
21:41:21 (11244): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:41:21 (11244): 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 'E:\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 'E:\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.
08:33:25 (14872): wrapper (7.9.26016): starting
08:33:25 (14872): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Sottodirectory o file E:\BOINC\slots\0\tmp gi… esistente.
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
08:53:40 (14872): C:/Windows/system32/cmd.exe exited; CPU time 864.968750
08:53:40 (14872): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 19485150 bytes.
Dumping objects ->
{1871} normal block at 0x00000217F233D270, 48 bytes long.
Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
{1860} normal block at 0x00000217F233C530, 32 bytes long.
Data: <HOME=E:\BOINC\sl> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
{1849} normal block at 0x00000217F233C350, 32 bytes long.
Data: <TMP=E:\BOINC\slo> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{1838} normal block at 0x00000217F233C4D0, 32 bytes long.
Data: <TEMP=E:\BOINC\sl> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
{1827} normal block at 0x00000217F233BBD0, 32 bytes long.
Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C
{1796} normal block at 0x00000217F233D200, 48 bytes long.
Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
..\api\boinc_api.cpp(309) : {1782} normal block at 0x00000217F2342970, 8 bytes long.
Data: < > 00 00 D5 F3 17 02 00 00
{303} normal block at 0x00000217F2342790, 8 bytes long.
Data: <@=4 > 40 3D 34 F2 17 02 00 00
{294} normal block at 0x00000217F2337C90, 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 0x00000217F2343320, 16 bytes long.
Data: <H<4 > 48 3C 34 F2 17 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000217F23426A0, 16 bytes long.
Data: < <4 > 20 3C 34 F2 17 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000217F233BDB0, 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 0x00000217F2342C90, 16 bytes long.
Data: < ;4 > F8 3B 34 F2 17 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000217F2342C40, 16 bytes long.
Data: < ;4 > D0 3B 34 F2 17 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000217F2342BF0, 16 bytes long.
Data: < ;4 > A8 3B 34 F2 17 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000217F2343280, 16 bytes long.
Data: < ;4 > 80 3B 34 F2 17 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000217F233D820, 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 0x00000217F2342BA0, 16 bytes long.
Data: < 2 > D8 BD 32 F2 17 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000217F233C410, 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 0x00000217F2342D30, 16 bytes long.
Data: < 2 > B0 BD 32 F2 17 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000217F23431E0, 16 bytes long.
Data: < 2 > 88 BD 32 F2 17 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000217F23434B0, 16 bytes long.
Data: <` 2 > 60 BD 32 F2 17 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000217F2343140, 16 bytes long.
Data: <8 2 > 38 BD 32 F2 17 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000217F2342B50, 16 bytes long.
Data: < 2 > 10 BD 32 F2 17 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000217F2342EC0, 16 bytes long.
Data: < 2 > E8 BC 32 F2 17 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000217F233BE70, 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 0x00000217F2342830, 16 bytes long.
Data: < 2 > C0 BC 32 F2 17 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000217F232BCC0, 320 bytes long.
Data: <0(4 p 3 > 30 28 34 F2 17 02 00 00 70 BE 33 F2 17 02 00 00
{273} normal block at 0x00000217F23427E0, 16 bytes long.
Data: <`;4 > 60 3B 34 F2 17 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000217F2343050, 16 bytes long.
Data: <8;4 > 38 3B 34 F2 17 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000217F233B9F0, 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 0x00000217F2342A10, 16 bytes long.
Data: < ;4 > 10 3B 34 F2 17 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000217F233B930, 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 0x00000217F2343190, 16 bytes long.
Data: <X:4 > 58 3A 34 F2 17 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000217F23425B0, 16 bytes long.
Data: <0:4 > 30 3A 34 F2 17 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000217F2342740, 16 bytes long.
Data: < :4 > 08 3A 34 F2 17 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000217F23430F0, 16 bytes long.
Data: < 94 > E0 39 34 F2 17 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000217F23426F0, 16 bytes long.
Data: < 94 > B8 39 34 F2 17 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000217F23429C0, 16 bytes long.
Data: < 94 > 90 39 34 F2 17 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000217F23430A0, 16 bytes long.
Data: < 3 > C0 D3 33 F2 17 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000217F233D3C0, 40 bytes long.
Data: < 04 3 > A0 30 34 F2 17 02 00 00 00 D2 33 F2 17 02 00 00
{259} normal block at 0x00000217F2342600, 16 bytes long.
Data: <p94 > 70 39 34 F2 17 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000217F2342560, 16 bytes long.
Data: <H94 > 48 39 34 F2 17 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000217F233BB70, 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 0x00000217F23432D0, 16 bytes long.
Data: < 94 > 20 39 34 F2 17 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000217F2343920, 992 bytes long.
Data: < 24 p 3 > D0 32 34 F2 17 02 00 00 70 BB 33 F2 17 02 00 00
{91} normal block at 0x00000217F233B6F0, 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 0x00000217F2336C20, 16 bytes long.
Data: < 3 > 90 D1 33 F2 17 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x00000217F233D190, 40 bytes long.
Data: < l3 3 > 20 6C 33 F2 17 02 00 00 F0 B6 33 F2 17 02 00 00
{68} normal block at 0x00000217F23376C0, 16 bytes long.
Data: < j > 80 EA 6A 8C F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000217F2337030, 16 bytes long.
Data: <@ j > 40 E9 6A 8C F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000217F23373A0, 16 bytes long.
Data: < Wg > F8 57 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000217F2337670, 16 bytes long.
Data: < Wg > D8 57 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000217F2337490, 16 bytes long.
Data: <P g > 50 04 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000217F2336AE0, 16 bytes long.
Data: <0 g > 30 04 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000217F2337210, 16 bytes long.
Data: < g > E0 02 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000217F2337120, 16 bytes long.
Data: < g > 10 04 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000217F2336A90, 16 bytes long.
Data: <p g > 70 04 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000217F2336B30, 16 bytes long.
Data: < e > 18 C0 65 8C F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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