Task 38689264
| Name | test_81-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND7543_0 |
| Workunit | 31630533 |
| Created | 28 Oct 2026, 19:42:29 UTC |
| Sent | 28 Oct 2026, 19:42:34 UTC |
| Report deadline | 2 Nov 2026, 19:42:34 UTC |
| Received | 28 Oct 2026, 20:59:43 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 559474 |
| Run time | 33 min 31 sec |
| CPU time | 29 min 33 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,142.82 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 676.31 MB |
| Peak swap size | 6.75 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:45:05 (832): wrapper (7.9.26016): starting
12:45:05 (832): 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
12:45:08 (832): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:45:08 (832): 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 'E:\ProgramData\BOINC\slots\17\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 'E:\ProgramData\BOINC\slots\17\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) : {3835119} normal block at 0x000002D7CBF26AB0, 8 bytes long.
Data: < > 00 00 F0 CB D7 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833954} normal block at 0x000002D7CDB94040, 1080 bytes long.
Data: < G > 80 47 00 00 CD CD CD CD F0 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000002D7CBF304E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
13:13:25 (31456): wrapper (7.9.26016): starting
13:13:25 (31456): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\ProgramData\BOINC\slots\17\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x0000026BABFF1120, 8 bytes long.
Data: < k > 00 00 9C AD 6B 02 00 00
..\lib\diagnostics_win.cpp(417) : {302} normal block at 0x0000026BABFF3870, 1080 bytes long.
Data: < A H > E8 41 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
13:28:00 (39516): wrapper (7.9.26016): starting
13:28:00 (39516): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\ProgramData\BOINC\slots\17\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x0000024B8CA81670, 8 bytes long.
Data: < 8 K > 00 00 38 8E 4B 02 00 00
..\lib\diagnostics_win.cpp(417) : {302} normal block at 0x0000024B8CA83A20, 1080 bytes long.
Data: <Pt D > 50 74 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
13:53:38 (24732): wrapper (7.9.26016): starting
13:53:38 (24732): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\ProgramData\BOINC\slots\17\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
13:59:02 (24732): C:/Windows/system32/cmd.exe exited; CPU time 285.421875
13:59:02 (24732): 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: 6473029 bytes.
Dumping objects ->
{1555} normal block at 0x00000215CB4BBA70, 48 bytes long.
Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{1544} normal block at 0x00000215CB4BB530, 48 bytes long.
Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{1533} normal block at 0x00000215CB4BB760, 48 bytes long.
Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61
{1522} normal block at 0x00000215CB4BB990, 48 bytes long.
Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{1511} normal block at 0x00000215CB4BB680, 48 bytes long.
Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61
{1480} normal block at 0x00000215CB4A62D0, 64 bytes long.
Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {1467} normal block at 0x00000215CB4C1860, 8 bytes long.
Data: < H > 00 00 48 CB 15 02 00 00
{303} normal block at 0x00000215CB4C1C20, 8 bytes long.
Data: <0=L > 30 3D 4C CB 15 02 00 00
{294} normal block at 0x00000215CB4ABB70, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x00000215CB4C1EA0, 16 bytes long.
Data: <8<L > 38 3C 4C CB 15 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000215CB4C1C70, 16 bytes long.
Data: < <L > 10 3C 4C CB 15 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000215CB4BDB30, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x00000215CB4C1B80, 16 bytes long.
Data: < ;L > E8 3B 4C CB 15 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000215CB4C1BD0, 16 bytes long.
Data: < ;L > C0 3B 4C CB 15 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000215CB4C2260, 16 bytes long.
Data: < ;L > 98 3B 4C CB 15 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000215CB4C2120, 16 bytes long.
Data: <p;L > 70 3B 4C CB 15 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000215CB4BB6F0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x00000215CB4C1A90, 16 bytes long.
Data: < L > D8 13 4C CB 15 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000215CB4BD9B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x00000215CB4C1A40, 16 bytes long.
Data: < L > B0 13 4C CB 15 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000215CB4C1F40, 16 bytes long.
Data: < L > 88 13 4C CB 15 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000215CB4C19F0, 16 bytes long.
Data: <` L > 60 13 4C CB 15 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000215CB4C19A0, 16 bytes long.
Data: <8 L > 38 13 4C CB 15 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000215CB4C1720, 16 bytes long.
Data: < L > 10 13 4C CB 15 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000215CB4C18B0, 16 bytes long.
Data: < L > E8 12 4C CB 15 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000215CB4BDAD0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x00000215CB4C16D0, 16 bytes long.
Data: < L > C0 12 4C CB 15 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000215CB4C12C0, 320 bytes long.
Data: < L K > D0 16 4C CB 15 02 00 00 D0 DA 4B CB 15 02 00 00
{273} normal block at 0x00000215CB4C1590, 16 bytes long.
Data: <P;L > 50 3B 4C CB 15 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000215CB4C23F0, 16 bytes long.
Data: <(;L > 28 3B 4C CB 15 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000215CB4BCCF0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x00000215CB4C1950, 16 bytes long.
Data: < ;L > 00 3B 4C CB 15 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000215CB4BD950, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x00000215CB4C1540, 16 bytes long.
Data: <H:L > 48 3A 4C CB 15 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000215CB4C23A0, 16 bytes long.
Data: < :L > 20 3A 4C CB 15 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000215CB4C2350, 16 bytes long.
Data: < 9L > F8 39 4C CB 15 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000215CB4C1680, 16 bytes long.
Data: < 9L > D0 39 4C CB 15 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000215CB4C1630, 16 bytes long.
Data: < 9L > A8 39 4C CB 15 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000215CB4C20D0, 16 bytes long.
Data: < 9L > 80 39 4C CB 15 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000215CB4C2490, 16 bytes long.
Data: < K > 10 B6 4B CB 15 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000215CB4BB610, 40 bytes long.
Data: < $L bJ > 90 24 4C CB 15 02 00 00 D0 62 4A CB 15 02 00 00
{259} normal block at 0x00000215CB4C1E00, 16 bytes long.
Data: <`9L > 60 39 4C CB 15 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000215CB4C2300, 16 bytes long.
Data: <89L > 38 39 4C CB 15 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000215CB4BD410, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x00000215CB4C1E50, 16 bytes long.
Data: < 9L > 10 39 4C CB 15 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000215CB4C3910, 992 bytes long.
Data: <P L K > 50 1E 4C CB 15 02 00 00 10 D4 4B CB 15 02 00 00
{91} normal block at 0x00000215CB4BD8F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x00000215CB4B7390, 16 bytes long.
Data: < K > 20 B9 4B CB 15 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x00000215CB4BB920, 40 bytes long.
Data: < sK K > 90 73 4B CB 15 02 00 00 F0 D8 4B CB 15 02 00 00
{68} normal block at 0x00000215CB4B67B0, 16 bytes long.
Data: < C > 80 EA EA 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000215CB4B72A0, 16 bytes long.
Data: <@ C > 40 E9 EA 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000215CB4B73E0, 16 bytes long.
Data: < W C > F8 57 E7 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000215CB4B75C0, 16 bytes long.
Data: < W C > D8 57 E7 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000215CB4B6A80, 16 bytes long.
Data: <P C > 50 04 E7 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000215CB4B7250, 16 bytes long.
Data: <0 C > 30 04 E7 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000215CB4B7570, 16 bytes long.
Data: < C > E0 02 E7 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000215CB4B6DA0, 16 bytes long.
Data: < C > 10 04 E7 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000215CB4B6850, 16 bytes long.
Data: <p C > 70 04 E7 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000215CB4B7200, 16 bytes long.
Data: < C > 18 C0 E5 43 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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