Task 38678186
| Name | test_107-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND5431_0 |
| Workunit | 31620018 |
| Created | 26 Oct 2026, 16:38:01 UTC |
| Sent | 26 Oct 2026, 16:38:06 UTC |
| Report deadline | 31 Oct 2026, 16:38:06 UTC |
| Received | 27 Oct 2026, 7:10:00 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 575233 |
| Run time | 28 min 29 sec |
| CPU time | 26 min 13 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 11,247.14 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 714.77 MB |
| Peak swap size | 9.79 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
17:40:28 (57660): wrapper (7.9.26016): starting
17:40:28 (57660): 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
17:40:31 (57660): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:40:31 (57660): 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 'D:\ProgramData\BOINC\slots\0\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 'D:\ProgramData\BOINC\slots\0\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) : {3835190} normal block at 0x00000282BA2FB010, 8 bytes long.
Data: < ( > 00 00 28 BA 82 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833974} normal block at 0x00000282BC0D4600, 1080 bytes long.
Data: < n > 84 6E 00 00 CD CD CD CD F0 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x00000282BA3023E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
08:00:01 (30612): wrapper (7.9.26016): starting
08:00:01 (30612): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier D:\ProgramData\BOINC\slots\0\tmp existe d‚j….
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
08:09:39 (30612): C:/Windows/system32/cmd.exe exited; CPU time 549.781250
08:09:39 (30612): 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: 12786446 bytes.
Dumping objects ->
{1616} normal block at 0x000001EE4ED55100, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1605} normal block at 0x000001EE4ED551E0, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1594} normal block at 0x000001EE4ED553A0, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{1583} normal block at 0x000001EE4ED554F0, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1572} normal block at 0x000001EE4ED55090, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{1541} normal block at 0x000001EE4ED3F520, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {1528} normal block at 0x000001EE4ED55C80, 8 bytes long.
Data: < N > 00 00 CF 4E EE 01 00 00
{313} normal block at 0x000001EE4ED56360, 8 bytes long.
Data: < p N > 10 70 D5 4E EE 01 00 00
{304} normal block at 0x000001EE4ED464C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{303} normal block at 0x000001EE4ED56B80, 16 bytes long.
Data: < o N > 18 6F D5 4E EE 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001EE4ED56540, 16 bytes long.
Data: < n N > F0 6E D5 4E EE 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001EE4ED4F1A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{300} normal block at 0x000001EE4ED56310, 16 bytes long.
Data: < n N > C8 6E D5 4E EE 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001EE4ED560E0, 16 bytes long.
Data: < n N > A0 6E D5 4E EE 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001EE4ED566D0, 16 bytes long.
Data: <xn N > 78 6E D5 4E EE 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001EE4ED55F50, 16 bytes long.
Data: <Pn N > 50 6E D5 4E EE 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001EE4ED55330, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{295} normal block at 0x000001EE4ED56090, 16 bytes long.
Data: <8 N > 38 97 D4 4E EE 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001EE4ED4EF00, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{293} normal block at 0x000001EE4ED56900, 16 bytes long.
Data: < N > 10 97 D4 4E EE 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001EE4ED565E0, 16 bytes long.
Data: < N > E8 96 D4 4E EE 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001EE4ED56680, 16 bytes long.
Data: < N > C0 96 D4 4E EE 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001EE4ED55E60, 16 bytes long.
Data: < N > 98 96 D4 4E EE 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001EE4ED56AE0, 16 bytes long.
Data: <p N > 70 96 D4 4E EE 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001EE4ED55FA0, 16 bytes long.
Data: <H N > 48 96 D4 4E EE 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001EE4ED4E8A0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{285} normal block at 0x000001EE4ED56450, 16 bytes long.
Data: < N > 20 96 D4 4E EE 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001EE4ED49620, 320 bytes long.
Data: <Pd N N > 50 64 D5 4E EE 01 00 00 A0 E8 D4 4E EE 01 00 00
{283} normal block at 0x000001EE4ED569A0, 16 bytes long.
Data: <0n N > 30 6E D5 4E EE 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001EE4ED56630, 16 bytes long.
Data: < n N > 08 6E D5 4E EE 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001EE4ED4E9C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{280} normal block at 0x000001EE4ED568B0, 16 bytes long.
Data: < m N > E0 6D D5 4E EE 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001EE4ED4F380, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{278} normal block at 0x000001EE4ED56040, 16 bytes long.
Data: <(m N > 28 6D D5 4E EE 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001EE4ED562C0, 16 bytes long.
Data: < m N > 00 6D D5 4E EE 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001EE4ED56A40, 16 bytes long.
Data: < l N > D8 6C D5 4E EE 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001EE4ED55DC0, 16 bytes long.
Data: < l N > B0 6C D5 4E EE 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001EE4ED55F00, 16 bytes long.
Data: < l N > 88 6C D5 4E EE 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001EE4ED56400, 16 bytes long.
Data: <`l N > 60 6C D5 4E EE 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001EE4ED55EB0, 16 bytes long.
Data: <pQ N > 70 51 D5 4E EE 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001EE4ED55170, 40 bytes long.
Data: < ^ N N > B0 5E D5 4E EE 01 00 00 20 F5 D3 4E EE 01 00 00
{269} normal block at 0x000001EE4ED56590, 16 bytes long.
Data: <@l N > 40 6C D5 4E EE 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001EE4ED56B30, 16 bytes long.
Data: < l N > 18 6C D5 4E EE 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001EE4ED4EC60, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{266} normal block at 0x000001EE4ED56270, 16 bytes long.
Data: < k N > F0 6B D5 4E EE 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001EE4ED56BF0, 992 bytes long.
Data: <pb N ` N > 70 62 D5 4E EE 01 00 00 60 EC D4 4E EE 01 00 00
{101} normal block at 0x000001EE4ED4F620, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{100} normal block at 0x000001EE4ED4AD30, 16 bytes long.
Data: <p N > 70 F8 D3 4E EE 01 00 00 00 00 00 00 00 00 00 00
{99} normal block at 0x000001EE4ED3F870, 40 bytes long.
Data: <0 N N > 30 AD D4 4E EE 01 00 00 20 F6 D4 4E EE 01 00 00
{78} normal block at 0x000001EE4ED4B640, 16 bytes long.
Data: < Z > 80 EA E9 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000001EE4ED4A8D0, 16 bytes long.
Data: <@ Z > 40 E9 E9 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001EE4ED4ACE0, 16 bytes long.
Data: < W Z > F8 57 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001EE4ED4AF10, 16 bytes long.
Data: < W Z > D8 57 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001EE4ED4B050, 16 bytes long.
Data: <P Z > 50 04 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001EE4ED4AB00, 16 bytes long.
Data: <0 Z > 30 04 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001EE4ED4B5F0, 16 bytes long.
Data: < Z > E0 02 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001EE4ED4ADD0, 16 bytes long.
Data: < Z > 10 04 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001EE4ED4B190, 16 bytes long.
Data: <p Z > 70 04 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001EE4ED4AAB0, 16 bytes long.
Data: < Z > 18 C0 E4 5A F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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