Task 38671833
| Name | test_154-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND5883_0 |
| Workunit | 31614018 |
| Created | 25 Oct 2026, 21:42:55 UTC |
| Sent | 25 Oct 2026, 21:42:56 UTC |
| Report deadline | 30 Oct 2026, 21:42:56 UTC |
| Received | 27 Oct 2026, 14:04:59 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 601046 |
| Run time | 30 min 7 sec |
| CPU time | 23 min 46 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 35,585.07 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 685.81 MB |
| Peak swap size | 8.50 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:44:53 (9944): wrapper (7.9.26016): starting
17:44:53 (9944): 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
17:44:54 (9944): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:44:54 (9944): 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\21\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\21\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.
09:39:39 (29640): wrapper (7.9.26016): starting
09:39:39 (29640): 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\21\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
10:04:08 (29640): C:/Windows/system32/cmd.exe exited; CPU time 1221.328125
10:04:08 (29640): called boinc_finish(0)
0 bytes in 0 Free Blocks.
462 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: 27639641 bytes.
Dumping objects ->
{1582} normal block at 0x0000027482B15140, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1571} normal block at 0x0000027482B14B90, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1560} normal block at 0x0000027482B14C70, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1549} normal block at 0x0000027482B14B20, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1538} normal block at 0x0000027482B14F80, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1507} normal block at 0x0000027482AFF500, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1496} normal block at 0x0000027482AFEB20, 103 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) : {1493} normal block at 0x0000027482B15DD0, 8 bytes long.
Data: < t > 00 00 FF 82 74 02 00 00
{889} normal block at 0x0000027482AFEBD0, 103 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{305} normal block at 0x0000027482B15E70, 8 bytes long.
Data: <0j t > 30 6A B1 82 74 02 00 00
{296} normal block at 0x0000027482B06780, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x0000027482B163C0, 16 bytes long.
Data: <8i t > 38 69 B1 82 74 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000027482B16550, 16 bytes long.
Data: < i t > 10 69 B1 82 74 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000027482B10710, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x0000027482B158D0, 16 bytes long.
Data: < h t > E8 68 B1 82 74 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000027482B15F10, 16 bytes long.
Data: < h t > C0 68 B1 82 74 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000027482B15D80, 16 bytes long.
Data: < h t > 98 68 B1 82 74 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000027482B159C0, 16 bytes long.
Data: <ph t > 70 68 B1 82 74 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000027482B14CE0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x0000027482B15E20, 16 bytes long.
Data: <x t > 78 F0 AF 82 74 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000027482B10590, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x0000027482B15CE0, 16 bytes long.
Data: <P t > 50 F0 AF 82 74 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000027482B15920, 16 bytes long.
Data: <( t > 28 F0 AF 82 74 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000027482B16370, 16 bytes long.
Data: < t > 00 F0 AF 82 74 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000027482B162D0, 16 bytes long.
Data: < t > D8 EF AF 82 74 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000027482B15D30, 16 bytes long.
Data: < t > B0 EF AF 82 74 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000027482B15650, 16 bytes long.
Data: < t > 88 EF AF 82 74 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000027482B104D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x0000027482B15B50, 16 bytes long.
Data: <` t > 60 EF AF 82 74 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000027482AFEF60, 320 bytes long.
Data: <P[ t t > 50 5B B1 82 74 02 00 00 D0 04 B1 82 74 02 00 00
{275} normal block at 0x0000027482B15FB0, 16 bytes long.
Data: <Ph t > 50 68 B1 82 74 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000027482B15970, 16 bytes long.
Data: <(h t > 28 68 B1 82 74 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000027482B10410, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x0000027482B15A60, 16 bytes long.
Data: < h t > 00 68 B1 82 74 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000027482B0FB10, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x0000027482B16320, 16 bytes long.
Data: <Hg t > 48 67 B1 82 74 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000027482B15C40, 16 bytes long.
Data: < g t > 20 67 B1 82 74 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000027482B15BF0, 16 bytes long.
Data: < f t > F8 66 B1 82 74 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000027482B15C90, 16 bytes long.
Data: < f t > D0 66 B1 82 74 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000027482B15880, 16 bytes long.
Data: < f t > A8 66 B1 82 74 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000027482B156A0, 16 bytes long.
Data: < f t > 80 66 B1 82 74 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000027482B15BA0, 16 bytes long.
Data: < N t > A0 4E B1 82 74 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000027482B14EA0, 40 bytes long.
Data: < [ t t > A0 5B B1 82 74 02 00 00 00 F5 AF 82 74 02 00 00
{261} normal block at 0x0000027482B16280, 16 bytes long.
Data: <`f t > 60 66 B1 82 74 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000027482B15F60, 16 bytes long.
Data: <8f t > 38 66 B1 82 74 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000027482B0FF30, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x0000027482B15A10, 16 bytes long.
Data: < f t > 10 66 B1 82 74 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000027482B16610, 992 bytes long.
Data: < Z t 0 t > 10 5A B1 82 74 02 00 00 30 FF B0 82 74 02 00 00
{93} normal block at 0x0000027482B10470, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x0000027482B0F050, 16 bytes long.
Data: <P t > 50 9E B0 82 74 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000027482B09E50, 40 bytes long.
Data: <P t p t > 50 F0 B0 82 74 02 00 00 70 04 B1 82 74 02 00 00
{70} normal block at 0x0000027482B0F2D0, 16 bytes long.
Data: < > 80 EA 84 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000027482B0EF60, 16 bytes long.
Data: <@ > 40 E9 84 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000027482B0F280, 16 bytes long.
Data: < W > F8 57 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000027482B0F820, 16 bytes long.
Data: < W > D8 57 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000027482B0F140, 16 bytes long.
Data: <P > 50 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000027482B0EBA0, 16 bytes long.
Data: <0 > 30 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000027482B0EC90, 16 bytes long.
Data: < > E0 02 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000027482B0F960, 16 bytes long.
Data: < > 10 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000027482B0F410, 16 bytes long.
Data: <p > 70 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000027482B0F780, 16 bytes long.
Data: < > 18 C0 7F 1D F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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