Task 38648747
| Name | test_230-GPUGRID_TEST_ATM_4STEP_20261023-1-4-RND2433_0 |
| Workunit | 31593435 |
| Created | 23 Oct 2026, 20:50:24 UTC |
| Sent | 23 Oct 2026, 21:10:18 UTC |
| Report deadline | 28 Oct 2026, 21:10:18 UTC |
| Received | 24 Oct 2026, 10:43:31 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643074 |
| Run time | 47 min 58 sec |
| CPU time | 33 min 45 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,848.68 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 686.48 MB |
| Peak swap size | 3.08 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:14:34 (7652): wrapper (7.9.26016): starting
00:14:34 (7652): 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
00:14:36 (7652): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:14:36 (7652): 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.
12:28:54 (9144): wrapper (7.9.26016): starting
12:28:54 (9144): 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
12:43:08 (9144): C:/Windows/system32/cmd.exe exited; CPU time 570.109375
12:43:08 (9144): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 13397300 bytes.
Dumping objects ->
{1614} normal block at 0x0000025298DF5CE0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1603} normal block at 0x0000025298DF5730, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1592} normal block at 0x0000025298DF56C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1581} normal block at 0x0000025298DF5D50, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1570} normal block at 0x0000025298DF5C00, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1539} normal block at 0x0000025298DEFAF0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1528} normal block at 0x0000025298DDBCA0, 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) : {1525} normal block at 0x0000025298DF6830, 8 bytes long.
Data: < R > 00 00 16 99 52 02 00 00
{906} normal block at 0x0000025298DDEAC0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{304} normal block at 0x0000025298DF6E70, 8 bytes long.
Data: < w R > F0 77 DF 98 52 02 00 00
{295} normal block at 0x0000025298DE75A0, 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 0x0000025298DF7730, 16 bytes long.
Data: < f R > E8 66 DF 98 52 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000025298DF7550, 16 bytes long.
Data: < f R > C0 66 DF 98 52 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000025298DEE990, 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 0x0000025298DF6BA0, 16 bytes long.
Data: < f R > 98 66 DF 98 52 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000025298DF6A60, 16 bytes long.
Data: <pf R > 70 66 DF 98 52 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000025298DF6A10, 16 bytes long.
Data: <Hf R > 48 66 DF 98 52 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000025298DF6C90, 16 bytes long.
Data: < f R > 20 66 DF 98 52 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000025298DF5880, 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 0x0000025298DF6C40, 16 bytes long.
Data: < R > 88 FA DE 98 52 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000025298DEE330, 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 0x0000025298DF76E0, 16 bytes long.
Data: <` R > 60 FA DE 98 52 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000025298DF7690, 16 bytes long.
Data: <8 R > 38 FA DE 98 52 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000025298DF6920, 16 bytes long.
Data: < R > 10 FA DE 98 52 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000025298DF7000, 16 bytes long.
Data: < R > E8 F9 DE 98 52 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000025298DF6FB0, 16 bytes long.
Data: < R > C0 F9 DE 98 52 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000025298DF6880, 16 bytes long.
Data: < R > 98 F9 DE 98 52 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000025298DEE2D0, 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 0x0000025298DF73C0, 16 bytes long.
Data: <p R > 70 F9 DE 98 52 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000025298DEF970, 320 bytes long.
Data: < s R R > C0 73 DF 98 52 02 00 00 D0 E2 DE 98 52 02 00 00
{274} normal block at 0x0000025298DF75F0, 16 bytes long.
Data: < f R > 00 66 DF 98 52 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000025298DF6DD0, 16 bytes long.
Data: < e R > D8 65 DF 98 52 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000025298DEEB10, 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 0x0000025298DF75A0, 16 bytes long.
Data: < e R > B0 65 DF 98 52 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000025298DEE270, 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 0x0000025298DF72D0, 16 bytes long.
Data: < d R > F8 64 DF 98 52 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000025298DF7640, 16 bytes long.
Data: < d R > D0 64 DF 98 52 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000025298DF7050, 16 bytes long.
Data: < d R > A8 64 DF 98 52 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000025298DF6970, 16 bytes long.
Data: < d R > 80 64 DF 98 52 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000025298DF6E20, 16 bytes long.
Data: <Xd R > 58 64 DF 98 52 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000025298DF05C0, 16 bytes long.
Data: <0d R > 30 64 DF 98 52 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000025298DF0750, 16 bytes long.
Data: < W R > A0 57 DF 98 52 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000025298DF57A0, 40 bytes long.
Data: <P R R > 50 07 DF 98 52 02 00 00 F0 FA DE 98 52 02 00 00
{260} normal block at 0x0000025298DF0660, 16 bytes long.
Data: < d R > 10 64 DF 98 52 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000025298DF0570, 16 bytes long.
Data: < c R > E8 63 DF 98 52 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000025298DEE1B0, 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 0x0000025298DEFF80, 16 bytes long.
Data: < c R > C0 63 DF 98 52 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000025298DF63C0, 992 bytes long.
Data: < R R > 80 FF DE 98 52 02 00 00 B0 E1 DE 98 52 02 00 00
{92} normal block at 0x0000025298DEEAB0, 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 0x0000025298DF0610, 16 bytes long.
Data: < R > A0 CD DD 98 52 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000025298DDCDA0, 40 bytes long.
Data: < R R > 10 06 DF 98 52 02 00 00 B0 EA DE 98 52 02 00 00
{69} normal block at 0x0000025298DEFCB0, 16 bytes long.
Data: < ?# > 80 EA 3F 23 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000025298DF00C0, 16 bytes long.
Data: <@ ?# > 40 E9 3F 23 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000025298DF0B10, 16 bytes long.
Data: < W<# > F8 57 3C 23 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000025298DF0A20, 16 bytes long.
Data: < W<# > D8 57 3C 23 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000025298DF0980, 16 bytes long.
Data: <P <# > 50 04 3C 23 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000025298DF0AC0, 16 bytes long.
Data: <0 <# > 30 04 3C 23 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000025298DF0110, 16 bytes long.
Data: < <# > E0 02 3C 23 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000025298DF02A0, 16 bytes long.
Data: < <# > 10 04 3C 23 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000025298DF0700, 16 bytes long.
Data: <p <# > 70 04 3C 23 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000025298DF07A0, 16 bytes long.
Data: < :# > 18 C0 3A 23 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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