Task 38672095
| Name | test_918-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND4530_0 |
| Workunit | 31614266 |
| Created | 25 Oct 2026, 22:26:57 UTC |
| Sent | 25 Oct 2026, 22:26:59 UTC |
| Report deadline | 30 Oct 2026, 22:26:59 UTC |
| Received | 25 Oct 2026, 23:04:34 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643627 |
| Run time | 19 min 42 sec |
| CPU time | 17 min 39 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 83,070.51 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 756.57 MB |
| Peak swap size | 13.19 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
17:28:10 (38524): wrapper (7.9.26016): starting
17:28:10 (38524): 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
17:28:11 (38524): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:28:11 (38524): 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\10\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\10\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) : {3835409} normal block at 0x000001E4DFCFFC80, 8 bytes long.
Data: < > 00 00 11 E0 E4 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833968} normal block at 0x000001E4DFD2CD40, 1080 bytes long.
Data: <$ p > 24 81 00 00 CD CD CD CD 70 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001E4DFD01B40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:38:42 (10992): wrapper (7.9.26016): starting
17:38:42 (10992): 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\10\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
17:51:22 (10992): C:/Windows/system32/cmd.exe exited; CPU time 716.687500
17:51:22 (10992): 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: 16678035 bytes.
Dumping objects ->
{1838} normal block at 0x0000023505B75830, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1827} normal block at 0x0000023505B75520, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1816} normal block at 0x0000023505B756E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1805} normal block at 0x0000023505B75280, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1794} normal block at 0x0000023505B75210, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1763} normal block at 0x0000023505B5EC90, 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) : {1750} normal block at 0x0000023505B76E60, 8 bytes long.
Data: < 5 > 00 00 AF 05 35 02 00 00
{310} normal block at 0x0000023505B760F0, 8 bytes long.
Data: <@K 5 > 40 4B B7 05 35 02 00 00
{301} normal block at 0x0000023505B673A0, 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 0x0000023505B765F0, 16 bytes long.
Data: <Hr 5 > 48 72 B7 05 35 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000023505B760A0, 16 bytes long.
Data: < r 5 > 20 72 B7 05 35 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000023505B6DD80, 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 0x0000023505B76190, 16 bytes long.
Data: < q 5 > F8 71 B7 05 35 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000023505B76A50, 16 bytes long.
Data: < q 5 > D0 71 B7 05 35 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000023505B76230, 16 bytes long.
Data: < q 5 > A8 71 B7 05 35 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000023505B76C30, 16 bytes long.
Data: < q 5 > 80 71 B7 05 35 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000023505B75670, 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 0x0000023505B76E10, 16 bytes long.
Data: < 5 > F8 F9 B5 05 35 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000023505B6DBA0, 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 0x0000023505B76780, 16 bytes long.
Data: < 5 > D0 F9 B5 05 35 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000023505B76EB0, 16 bytes long.
Data: < 5 > A8 F9 B5 05 35 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000023505B76050, 16 bytes long.
Data: < 5 > 80 F9 B5 05 35 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000023505B76460, 16 bytes long.
Data: <X 5 > 58 F9 B5 05 35 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000023505B76910, 16 bytes long.
Data: <0 5 > 30 F9 B5 05 35 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000023505B76DC0, 16 bytes long.
Data: < 5 > 08 F9 B5 05 35 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000023505B6E1A0, 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 0x0000023505B76BE0, 16 bytes long.
Data: < 5 > E0 F8 B5 05 35 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000023505B5F8E0, 320 bytes long.
Data: < k 5 5 > E0 6B B7 05 35 02 00 00 A0 E1 B6 05 35 02 00 00
{280} normal block at 0x0000023505B765A0, 16 bytes long.
Data: <`q 5 > 60 71 B7 05 35 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000023505B76730, 16 bytes long.
Data: <8q 5 > 38 71 B7 05 35 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000023505B6DDE0, 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 0x0000023505B76000, 16 bytes long.
Data: < q 5 > 10 71 B7 05 35 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000023505B6DA80, 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 0x0000023505B76C80, 16 bytes long.
Data: <Xp 5 > 58 70 B7 05 35 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000023505B76D70, 16 bytes long.
Data: <0p 5 > 30 70 B7 05 35 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000023505B76CD0, 16 bytes long.
Data: < p 5 > 08 70 B7 05 35 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000023505B76B90, 16 bytes long.
Data: < o 5 > E0 6F B7 05 35 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000023505B76550, 16 bytes long.
Data: < o 5 > B8 6F B7 05 35 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000023505B76410, 16 bytes long.
Data: < o 5 > 90 6F B7 05 35 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000023505B75FB0, 16 bytes long.
Data: < S 5 > D0 53 B7 05 35 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000023505B753D0, 40 bytes long.
Data: < _ 5 5 > B0 5F B7 05 35 02 00 00 90 EC B5 05 35 02 00 00
{266} normal block at 0x0000023505B768C0, 16 bytes long.
Data: <po 5 > 70 6F B7 05 35 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000023505B76D20, 16 bytes long.
Data: <Ho 5 > 48 6F B7 05 35 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000023505B6E140, 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 0x0000023505B76B40, 16 bytes long.
Data: < o 5 > 20 6F B7 05 35 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000023505B76F20, 992 bytes long.
Data: <@k 5 @ 5 > 40 6B B7 05 35 02 00 00 40 E1 B6 05 35 02 00 00
{98} normal block at 0x0000023505B6D9C0, 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 0x0000023505B70900, 16 bytes long.
Data: < 5 > 20 EC B5 05 35 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x0000023505B5EC20, 40 bytes long.
Data: < 5 5 > 00 09 B7 05 35 02 00 00 C0 D9 B6 05 35 02 00 00
{75} normal block at 0x0000023505B6FBE0, 16 bytes long.
Data: < > 80 EA F7 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000023505B70540, 16 bytes long.
Data: <@ > 40 E9 F7 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000023505B70590, 16 bytes long.
Data: < W > F8 57 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000023505B6FFA0, 16 bytes long.
Data: < W > D8 57 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000023505B70720, 16 bytes long.
Data: <P > 50 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000023505B70630, 16 bytes long.
Data: <0 > 30 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000023505B6FE10, 16 bytes long.
Data: < > E0 02 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000023505B70450, 16 bytes long.
Data: < > 10 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000023505B704A0, 16 bytes long.
Data: <p > 70 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000023505B70040, 16 bytes long.
Data: < > 18 C0 F2 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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