Task 38684085
| Name | test_330-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND7725_0 |
| Workunit | 31625610 |
| Created | 27 Oct 2026, 14:38:48 UTC |
| Sent | 27 Oct 2026, 14:38:55 UTC |
| Report deadline | 1 Nov 2026, 14:38:55 UTC |
| Received | 27 Oct 2026, 16:14:41 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 604846 |
| Run time | 42 min |
| CPU time | 40 min |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,156.89 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 701.20 MB |
| Peak swap size | 9.74 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:05:14 (6836): wrapper (7.9.26016): starting
10:05:14 (6836): 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
10:05:15 (6836): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:05:15 (6836): 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\13\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\13\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) : {3835106} normal block at 0x000002DA2B901C30, 8 bytes long.
Data: < Q- > 00 00 51 2D DA 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833956} normal block at 0x000002DA2B8EF440, 1080 bytes long.
Data: <l > 6C 7F 00 00 CD CD CD CD B8 00 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002DA2B8F6F70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
10:16:32 (24856): wrapper (7.9.26016): starting
10:16:32 (24856): 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\13\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1453} normal block at 0x000001FE023C6330, 8 bytes long.
Data: < > 00 00 94 02 FE 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001FE023C6E90, 1080 bytes long.
Data: < o X > 94 6F 00 00 CD CD CD CD 58 01 00 00 00 00 00 00
Object dump complete.
10:27:54 (5780): wrapper (7.9.26016): starting
10:27:54 (5780): 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\13\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1453} normal block at 0x0000014918086920, 8 bytes long.
Data: < I > 00 00 04 18 49 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000014918086F80, 1080 bytes long.
Data: < > A8 8E 00 00 CD CD CD CD C0 00 00 00 00 00 00 00
Object dump complete.
10:34:10 (24980): wrapper (7.9.26016): starting
10:34:10 (24980): 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\13\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1453} normal block at 0x0000016CD58E6150, 8 bytes long.
Data: < l > 00 00 DA D5 6C 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000016CD58E6F80, 1080 bytes long.
Data: <8_ T > 38 5F 00 00 CD CD CD CD 54 01 00 00 00 00 00 00
Object dump complete.
10:38:19 (5768): wrapper (7.9.26016): starting
10:38:19 (5768): 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\13\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
11:14:17 (5768): C:/Windows/system32/cmd.exe exited; CPU time 2151.859375
11:14:17 (5768): 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: 38011129 bytes.
Dumping objects ->
{1541} normal block at 0x000001C4F6F45BB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1530} normal block at 0x000001C4F6F456E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1519} normal block at 0x000001C4F6F458A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1508} normal block at 0x000001C4F6F45750, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1497} normal block at 0x000001C4F6F45910, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1466} normal block at 0x000001C4F6F30D20, 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) : {1453} normal block at 0x000001C4F6F441E0, 8 bytes long.
Data: < J > 00 00 4A F7 C4 01 00 00
{304} normal block at 0x000001C4F6F444B0, 8 bytes long.
Data: < p > 90 70 F4 F6 C4 01 00 00
{295} normal block at 0x000001C4F6F37800, 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 0x000001C4F6F44230, 16 bytes long.
Data: < o > 98 6F F4 F6 C4 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001C4F6F44190, 16 bytes long.
Data: <po > 70 6F F4 F6 C4 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001C4F6F402C0, 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 0x000001C4F6F43F60, 16 bytes long.
Data: <Ho > 48 6F F4 F6 C4 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001C4F6F44460, 16 bytes long.
Data: < o > 20 6F F4 F6 C4 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001C4F6F44280, 16 bytes long.
Data: < n > F8 6E F4 F6 C4 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001C4F6F43E70, 16 bytes long.
Data: < n > D0 6E F4 F6 C4 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001C4F6F45A60, 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 0x000001C4F6F44410, 16 bytes long.
Data: <H > 48 D0 F2 F6 C4 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001C4F6F3FA80, 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 0x000001C4F6F44140, 16 bytes long.
Data: < > 20 D0 F2 F6 C4 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C4F6F44550, 16 bytes long.
Data: < > F8 CF F2 F6 C4 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001C4F6F443C0, 16 bytes long.
Data: < > D0 CF F2 F6 C4 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001C4F6F43E20, 16 bytes long.
Data: < > A8 CF F2 F6 C4 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001C4F6F46640, 16 bytes long.
Data: < > 80 CF F2 F6 C4 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001C4F6F469B0, 16 bytes long.
Data: <X > 58 CF F2 F6 C4 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001C4F6F40200, 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 0x000001C4F6F465F0, 16 bytes long.
Data: <0 > 30 CF F2 F6 C4 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001C4F6F2CF30, 320 bytes long.
Data: < e > F0 65 F4 F6 C4 01 00 00 00 02 F4 F6 C4 01 00 00
{274} normal block at 0x000001C4F6F46A50, 16 bytes long.
Data: < n > B0 6E F4 F6 C4 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001C4F6F46550, 16 bytes long.
Data: < n > 88 6E F4 F6 C4 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001C4F6F3F8A0, 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 0x000001C4F6F464B0, 16 bytes long.
Data: <`n > 60 6E F4 F6 C4 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001C4F6F3F720, 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 0x000001C4F6F46B90, 16 bytes long.
Data: < m > A8 6D F4 F6 C4 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001C4F6F46820, 16 bytes long.
Data: < m > 80 6D F4 F6 C4 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C4F6F46730, 16 bytes long.
Data: <Xm > 58 6D F4 F6 C4 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001C4F6F466E0, 16 bytes long.
Data: <0m > 30 6D F4 F6 C4 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001C4F6F46690, 16 bytes long.
Data: < m > 08 6D F4 F6 C4 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001C4F6F465A0, 16 bytes long.
Data: < l > E0 6C F4 F6 C4 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001C4F6F46960, 16 bytes long.
Data: <@[ > 40 5B F4 F6 C4 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001C4F6F45B40, 40 bytes long.
Data: <`i > 60 69 F4 F6 C4 01 00 00 20 0D F3 F6 C4 01 00 00
{260} normal block at 0x000001C4F6F46500, 16 bytes long.
Data: < l > C0 6C F4 F6 C4 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001C4F6F46AF0, 16 bytes long.
Data: < l > 98 6C F4 F6 C4 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001C4F6F40320, 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 0x000001C4F6F46BE0, 16 bytes long.
Data: <pl > 70 6C F4 F6 C4 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001C4F6F46C70, 992 bytes long.
Data: < k > E0 6B F4 F6 C4 01 00 00 20 03 F4 F6 C4 01 00 00
{92} normal block at 0x000001C4F6F40140, 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 0x000001C4F6F440F0, 16 bytes long.
Data: <` > 60 D1 F2 F6 C4 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001C4F6F2D160, 40 bytes long.
Data: < @ @ > F0 40 F4 F6 C4 01 00 00 40 01 F4 F6 C4 01 00 00
{69} normal block at 0x000001C4F6F3BF00, 16 bytes long.
Data: < 9R > 80 EA 39 52 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001C4F6F3BD70, 16 bytes long.
Data: <@ 9R > 40 E9 39 52 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001C4F6F3BD20, 16 bytes long.
Data: < W6R > F8 57 36 52 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001C4F6F3BE10, 16 bytes long.
Data: < W6R > D8 57 36 52 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001C4F6F3BE60, 16 bytes long.
Data: <P 6R > 50 04 36 52 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001C4F6F3BDC0, 16 bytes long.
Data: <0 6R > 30 04 36 52 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001C4F6F3BEB0, 16 bytes long.
Data: < 6R > E0 02 36 52 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001C4F6F3C270, 16 bytes long.
Data: < 6R > 10 04 36 52 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001C4F6F3C450, 16 bytes long.
Data: <p 6R > 70 04 36 52 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001C4F6F3C040, 16 bytes long.
Data: < 4R > 18 C0 34 52 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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