Task 38656791
| Name | test_366-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND0993_0 |
| Workunit | 31600494 |
| Created | 24 Oct 2026, 11:00:38 UTC |
| Sent | 24 Oct 2026, 11:03:55 UTC |
| Report deadline | 29 Oct 2026, 11:03:55 UTC |
| Received | 24 Oct 2026, 13:35:28 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652152 |
| Run time | 1 hours 18 min 8 sec |
| CPU time | 1 hours 9 min 4 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,462.82 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 672.12 MB |
| Peak swap size | 5.26 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:18:36 (18988): wrapper (7.9.26016): starting
07:18:36 (18988): 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
07:18:39 (18988): Library/usr/bin/tar.exe exited; CPU time 0.031250
07:18:39 (18988): 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\14\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\14\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) : {3841472} normal block at 0x0000019647E18FA0, 8 bytes long.
Data: < G > 00 00 D1 47 96 01 00 00
..\lib\diagnostics_win.cpp(417) : {3840213} normal block at 0x00000196499E4B40, 1080 bytes long.
Data: << T > 3C 16 00 00 CD CD CD CD 54 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000019647E231A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
07:20:41 (14148): wrapper (7.9.26016): starting
07:20:41 (14148): 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\14\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1565} normal block at 0x000001A457CF3930, 8 bytes long.
Data: < W > 00 00 CB 57 A4 01 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x000001A457CF5630, 1080 bytes long.
Data: <<. D > 3C 2E 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
08:21:01 (19164): wrapper (7.9.26016): starting
08:21:01 (19164): 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\14\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
09:35:03 (19164): C:/Windows/system32/cmd.exe exited; CPU time 4144.546875
09:35:03 (19164): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 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: 67898419 bytes.
Dumping objects ->
{1654} normal block at 0x000001805099C690, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1643} normal block at 0x000001805099CD20, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1632} normal block at 0x000001805099CC40, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1621} normal block at 0x000001805099CBD0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1610} normal block at 0x000001805099C930, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1579} normal block at 0x0000018050987150, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1568} normal block at 0x000001805098C820, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {1565} normal block at 0x00000180509A34C0, 8 bytes long.
Data: < =R > 00 00 3D 52 80 01 00 00
{927} normal block at 0x000001805099EEF0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{307} normal block at 0x00000180509A3330, 8 bytes long.
Data: < U P > 80 55 9A 50 80 01 00 00
{298} normal block at 0x0000018050986A40, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x00000180509A3560, 16 bytes long.
Data: < T P > 88 54 9A 50 80 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000180509A3470, 16 bytes long.
Data: <`T P > 60 54 9A 50 80 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001805099CFB0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x00000180509A32E0, 16 bytes long.
Data: <8T P > 38 54 9A 50 80 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000180509A3290, 16 bytes long.
Data: < T P > 10 54 9A 50 80 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000180509A36A0, 16 bytes long.
Data: < S P > E8 53 9A 50 80 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000180509A31A0, 16 bytes long.
Data: < S P > C0 53 9A 50 80 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001805099C8C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x00000180509A31F0, 16 bytes long.
Data: < i P > D8 69 98 50 80 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001805099D430, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x00000180509A3600, 16 bytes long.
Data: < i P > B0 69 98 50 80 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000180509A3BF0, 16 bytes long.
Data: < i P > 88 69 98 50 80 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000180509A39C0, 16 bytes long.
Data: <`i P > 60 69 98 50 80 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000180509A3A10, 16 bytes long.
Data: <8i P > 38 69 98 50 80 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000180509A3100, 16 bytes long.
Data: < i P > 10 69 98 50 80 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000180509A3150, 16 bytes long.
Data: < h P > E8 68 98 50 80 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001805099D610, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x00000180509A3BA0, 16 bytes long.
Data: < h P > C0 68 98 50 80 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000180509868C0, 320 bytes long.
Data: < ; P P > A0 3B 9A 50 80 01 00 00 10 D6 99 50 80 01 00 00
{277} normal block at 0x00000180509A3420, 16 bytes long.
Data: < S P > A0 53 9A 50 80 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000180509A2DE0, 16 bytes long.
Data: <xS P > 78 53 9A 50 80 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001805099DAF0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x00000180509A35B0, 16 bytes long.
Data: <PS P > 50 53 9A 50 80 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001805099DC10, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x00000180509A3A60, 16 bytes long.
Data: < R P > 98 52 9A 50 80 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000180509A3650, 16 bytes long.
Data: <pR P > 70 52 9A 50 80 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000180509A3C40, 16 bytes long.
Data: <HR P > 48 52 9A 50 80 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000180509A3AB0, 16 bytes long.
Data: < R P > 20 52 9A 50 80 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000180509A2ED0, 16 bytes long.
Data: < Q P > F8 51 9A 50 80 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000180509A3380, 16 bytes long.
Data: < Q P > D0 51 9A 50 80 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000180509A3B50, 16 bytes long.
Data: <` P > 60 CB 99 50 80 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001805099CB60, 40 bytes long.
Data: <P; P Pq P > 50 3B 9A 50 80 01 00 00 50 71 98 50 80 01 00 00
{263} normal block at 0x00000180509A2E80, 16 bytes long.
Data: < Q P > B0 51 9A 50 80 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000180509A37E0, 16 bytes long.
Data: < Q P > 88 51 9A 50 80 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001805099DA90, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x00000180509A30B0, 16 bytes long.
Data: <`Q P > 60 51 9A 50 80 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000180509A5160, 992 bytes long.
Data: < 0 P P > B0 30 9A 50 80 01 00 00 90 DA 99 50 80 01 00 00
{95} normal block at 0x000001805099D250, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x0000018050997940, 16 bytes long.
Data: < P > F0 CA 99 50 80 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001805099CAF0, 40 bytes long.
Data: <@y P P P > 40 79 99 50 80 01 00 00 50 D2 99 50 80 01 00 00
{72} normal block at 0x0000018050998390, 16 bytes long.
Data: < = > 80 EA 3D F1 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000018050997760, 16 bytes long.
Data: <@ = > 40 E9 3D F1 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000018050998200, 16 bytes long.
Data: < W: > F8 57 3A F1 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000180509985C0, 16 bytes long.
Data: < W: > D8 57 3A F1 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000018050998110, 16 bytes long.
Data: <P : > 50 04 3A F1 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000180509980C0, 16 bytes long.
Data: <0 : > 30 04 3A F1 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000180509978F0, 16 bytes long.
Data: < : > E0 02 3A F1 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000018050998340, 16 bytes long.
Data: < : > 10 04 3A F1 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000180509982F0, 16 bytes long.
Data: <p : > 70 04 3A F1 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000180509982A0, 16 bytes long.
Data: < 8 > 18 C0 38 F1 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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