Task 38678272
| Name | test_588-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND9358_0 |
| Workunit | 31620098 |
| Created | 26 Oct 2026, 16:54:36 UTC |
| Sent | 26 Oct 2026, 16:54:39 UTC |
| Report deadline | 31 Oct 2026, 16:54:39 UTC |
| Received | 27 Oct 2026, 0:43:34 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 646261 |
| Run time | 18 min 59 sec |
| CPU time | 18 min 54 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 39,048.75 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 732.50 MB |
| Peak swap size | 13.02 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
18:02:52 (26768): wrapper (7.9.26016): starting
18:02:52 (26768): 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
19:16:56 (26768): Library/usr/bin/tar.exe exited; CPU time 0.078125
19:16:56 (26768): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835431} normal block at 0x000001DAE901E5F0, 8 bytes long.
Data: < L > 00 00 4C E9 DA 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833966} normal block at 0x000001DAEAE24760, 1080 bytes long.
Data: <0 L > 30 98 00 00 CD CD CD CD 4C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001DAE9021D70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
01:14:55 (8008): wrapper (7.9.26016): starting
01:14:55 (8008): 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\1\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\1\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) : {1773} normal block at 0x000001B3EAD16870, 8 bytes long.
Data: < > 00 00 11 EB B3 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x000001B3EAD16FD0, 1080 bytes long.
Data: <lo > 6C 6F 00 00 CD CD CD CD B4 00 00 00 00 00 00 00
Object dump complete.
01:37:58 (19088): wrapper (7.9.26016): starting
01:37:58 (19088): 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\1\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
01:43:12 (19088): C:/Windows/system32/cmd.exe exited; CPU time 288.609375
01:43:12 (19088): 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: 7102122 bytes.
Dumping objects ->
{1861} normal block at 0x0000026D616E45A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1850} normal block at 0x0000026D616E4450, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1839} normal block at 0x0000026D616E41B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1828} normal block at 0x0000026D616E4220, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1817} normal block at 0x0000026D616E3FF0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1786} normal block at 0x0000026D616CBB50, 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) : {1773} normal block at 0x0000026D616E6D40, 8 bytes long.
Data: < jam > 00 00 6A 61 6D 02 00 00
{309} normal block at 0x0000026D616E63E0, 8 bytes long.
Data: < Xnam > 10 58 6E 61 6D 02 00 00
{300} normal block at 0x0000026D616D65C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x0000026D616E6CF0, 16 bytes long.
Data: < pnam > D8 70 6E 61 6D 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000026D616E67A0, 16 bytes long.
Data: < pnam > B0 70 6E 61 6D 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000026D616DF7E0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x0000026D616E6430, 16 bytes long.
Data: < pnam > 88 70 6E 61 6D 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000026D616E6570, 16 bytes long.
Data: <`pnam > 60 70 6E 61 6D 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000026D616E6610, 16 bytes long.
Data: <8pnam > 38 70 6E 61 6D 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000026D616E60C0, 16 bytes long.
Data: < pnam > 10 70 6E 61 6D 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000026D616E40D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x0000026D616E61B0, 16 bytes long.
Data: < mam > 88 96 6D 61 6D 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000026D616DF840, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x0000026D616E6980, 16 bytes long.
Data: <` mam > 60 96 6D 61 6D 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000026D616E6660, 16 bytes long.
Data: <8 mam > 38 96 6D 61 6D 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000026D616E6390, 16 bytes long.
Data: < mam > 10 96 6D 61 6D 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000026D616E6CA0, 16 bytes long.
Data: < mam > E8 95 6D 61 6D 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000026D616E6C50, 16 bytes long.
Data: < mam > C0 95 6D 61 6D 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000026D616E64D0, 16 bytes long.
Data: < mam > 98 95 6D 61 6D 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000026D616DFA80, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x0000026D616E6020, 16 bytes long.
Data: <p mam > 70 95 6D 61 6D 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000026D616D9570, 320 bytes long.
Data: < `nam mam > 20 60 6E 61 6D 02 00 00 80 FA 6D 61 6D 02 00 00
{279} normal block at 0x0000026D616E6C00, 16 bytes long.
Data: < onam > F0 6F 6E 61 6D 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000026D616E5FD0, 16 bytes long.
Data: < onam > C8 6F 6E 61 6D 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000026D616DFEA0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x0000026D616E6480, 16 bytes long.
Data: < onam > A0 6F 6E 61 6D 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000026D616E03E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x0000026D616E5E90, 16 bytes long.
Data: < nnam > E8 6E 6E 61 6D 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000026D616E62F0, 16 bytes long.
Data: < nnam > C0 6E 6E 61 6D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000026D616E5F80, 16 bytes long.
Data: < nnam > 98 6E 6E 61 6D 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000026D616E6070, 16 bytes long.
Data: <pnnam > 70 6E 6E 61 6D 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000026D616E6520, 16 bytes long.
Data: <Hnnam > 48 6E 6E 61 6D 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000026D616E6700, 16 bytes long.
Data: < nnam > 20 6E 6E 61 6D 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000026D616E6750, 16 bytes long.
Data: <@Anam > 40 41 6E 61 6D 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000026D616E4140, 40 bytes long.
Data: <Pgnam P lam > 50 67 6E 61 6D 02 00 00 50 BB 6C 61 6D 02 00 00
{265} normal block at 0x0000026D616E5DF0, 16 bytes long.
Data: < nnam > 00 6E 6E 61 6D 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000026D616E6160, 16 bytes long.
Data: < mnam > D8 6D 6E 61 6D 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000026D616DF6C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x0000026D616E6340, 16 bytes long.
Data: < mnam > B0 6D 6E 61 6D 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000026D616E6DB0, 992 bytes long.
Data: <@cnam mam > 40 63 6E 61 6D 02 00 00 C0 F6 6D 61 6D 02 00 00
{97} normal block at 0x0000026D616DF960, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x0000026D616DDBA0, 16 bytes long.
Data: <0Enam > 30 45 6E 61 6D 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x0000026D616E4530, 40 bytes long.
Data: < mam ` mam > A0 DB 6D 61 6D 02 00 00 60 F9 6D 61 6D 02 00 00
{74} normal block at 0x0000026D616DE640, 16 bytes long.
Data: < T > 80 EA 54 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000026D616DDAB0, 16 bytes long.
Data: <@ T > 40 E9 54 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000026D616DD970, 16 bytes long.
Data: < WQ > F8 57 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000026D616DE0F0, 16 bytes long.
Data: < WQ > D8 57 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000026D616DE500, 16 bytes long.
Data: <P Q > 50 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000026D616DDA10, 16 bytes long.
Data: <0 Q > 30 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000026D616DDF10, 16 bytes long.
Data: < Q > E0 02 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000026D616DE460, 16 bytes long.
Data: < Q > 10 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000026D616DD8D0, 16 bytes long.
Data: <p Q > 70 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000026D616DE410, 16 bytes long.
Data: < O > 18 C0 4F 92 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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