Task 38685850
| Name | test_973-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND5087_0 |
| Workunit | 31627304 |
| Created | 27 Oct 2026, 23:14:53 UTC |
| Sent | 27 Oct 2026, 23:15:19 UTC |
| Report deadline | 1 Nov 2026, 23:15:19 UTC |
| Received | 28 Oct 2026, 1:34:43 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 623034 |
| Run time | 26 min |
| CPU time | 24 min 14 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 44,609.07 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 711.21 MB |
| Peak swap size | 9.97 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
19:46:16 (28856): wrapper (7.9.26016): starting
19:46:16 (28856): 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
19:46:17 (28856): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:46:17 (28856): 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\24\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\24\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) : {3835117} normal block at 0x00000257C57EF670, 8 bytes long.
Data: < W > 00 00 C0 C5 57 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833968} normal block at 0x00000257C7575790, 1080 bytes long.
Data: < L > D8 4C 00 00 CD CD CD CD 98 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000257C57F1140, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
20:12:00 (33424): wrapper (7.9.26016): starting
20:12:00 (33424): 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\24\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
20:34:22 (33424): C:/Windows/system32/cmd.exe exited; CPU time 1263.015625
20:34:22 (33424): 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: 27731483 bytes.
Dumping objects ->
{1546} normal block at 0x000002BDEF8C6C10, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1535} normal block at 0x000002BDEF8C6AC0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1524} normal block at 0x000002BDEF8C6D60, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1513} normal block at 0x000002BDEF8C6C80, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1502} normal block at 0x000002BDEF8C6740, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1471} normal block at 0x000002BDEF8AF480, 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) : {1458} normal block at 0x000002BDEF8C7890, 8 bytes long.
Data: < > 00 00 F9 EF BD 02 00 00
{310} normal block at 0x000002BDEF8C75C0, 8 bytes long.
Data: < > C0 82 8C EF BD 02 00 00
{301} normal block at 0x000002BDEF8B57C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x000002BDEF8C7430, 16 bytes long.
Data: < > C8 81 8C EF BD 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002BDEF8C77F0, 16 bytes long.
Data: < > A0 81 8C EF BD 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002BDEF8BF7F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x000002BDEF8C7AC0, 16 bytes long.
Data: <x > 78 81 8C EF BD 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002BDEF8C7340, 16 bytes long.
Data: <P > 50 81 8C EF BD 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002BDEF8C7570, 16 bytes long.
Data: <( > 28 81 8C EF BD 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002BDEF8C72A0, 16 bytes long.
Data: < > 00 81 8C EF BD 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002BDEF8C6890, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x000002BDEF8C7C00, 16 bytes long.
Data: < > D8 86 8B EF BD 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002BDEF8C0330, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x000002BDEF8C7CF0, 16 bytes long.
Data: < > B0 86 8B EF BD 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002BDEF8C73E0, 16 bytes long.
Data: < > 88 86 8B EF BD 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002BDEF8C7250, 16 bytes long.
Data: <` > 60 86 8B EF BD 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002BDEF8C7520, 16 bytes long.
Data: <8 > 38 86 8B EF BD 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002BDEF8C71B0, 16 bytes long.
Data: < > 10 86 8B EF BD 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002BDEF8C7E30, 16 bytes long.
Data: < > E8 85 8B EF BD 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002BDEF8C0210, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x000002BDEF8C7160, 16 bytes long.
Data: < > C0 85 8B EF BD 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002BDEF8B85C0, 320 bytes long.
Data: <`q > 60 71 8C EF BD 02 00 00 10 02 8C EF BD 02 00 00
{280} normal block at 0x000002BDEF8C7750, 16 bytes long.
Data: < > E0 80 8C EF BD 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002BDEF8C7A70, 16 bytes long.
Data: < > B8 80 8C EF BD 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002BDEF8BFA30, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x000002BDEF8C6FD0, 16 bytes long.
Data: < > 90 80 8C EF BD 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002BDEF8C04B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x000002BDEF8C78E0, 16 bytes long.
Data: < > D8 7F 8C EF BD 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002BDEF8C7A20, 16 bytes long.
Data: < > B0 7F 8C EF BD 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002BDEF8C79D0, 16 bytes long.
Data: < > 88 7F 8C EF BD 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002BDEF8C7BB0, 16 bytes long.
Data: <` > 60 7F 8C EF BD 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002BDEF8C7070, 16 bytes long.
Data: <8 > 38 7F 8C EF BD 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002BDEF8C6F80, 16 bytes long.
Data: < > 10 7F 8C EF BD 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002BDEF8C7CA0, 16 bytes long.
Data: < h > 20 68 8C EF BD 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002BDEF8C6820, 40 bytes long.
Data: < | > A0 7C 8C EF BD 02 00 00 80 F4 8A EF BD 02 00 00
{266} normal block at 0x000002BDEF8C76B0, 16 bytes long.
Data: < ~ > F0 7E 8C EF BD 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002BDEF8C7660, 16 bytes long.
Data: < ~ > C8 7E 8C EF BD 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002BDEF8C01B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x000002BDEF8C7840, 16 bytes long.
Data: < ~ > A0 7E 8C EF BD 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002BDEF8C7EA0, 992 bytes long.
Data: <@x > 40 78 8C EF BD 02 00 00 B0 01 8C EF BD 02 00 00
{98} normal block at 0x000002BDEF8BFF10, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x000002BDEF8BEC70, 16 bytes long.
Data: < > A0 D4 8A EF BD 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x000002BDEF8AD4A0, 40 bytes long.
Data: <p > 70 EC 8B EF BD 02 00 00 10 FF 8B EF BD 02 00 00
{75} normal block at 0x000002BDEF8BEDB0, 16 bytes long.
Data: < $# > 80 EA 24 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000002BDEF8BEEF0, 16 bytes long.
Data: <@ $# > 40 E9 24 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002BDEF8BF350, 16 bytes long.
Data: < W!# > F8 57 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002BDEF8BF170, 16 bytes long.
Data: < W!# > D8 57 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002BDEF8BE9A0, 16 bytes long.
Data: <P !# > 50 04 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002BDEF8BF080, 16 bytes long.
Data: <0 !# > 30 04 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002BDEF8BEE00, 16 bytes long.
Data: < !# > E0 02 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002BDEF8BF580, 16 bytes long.
Data: < !# > 10 04 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002BDEF8BEC20, 16 bytes long.
Data: <p !# > 70 04 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002BDEF8BF210, 16 bytes long.
Data: < # > 18 C0 1F 23 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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