Task 38664182
| Name | test_437-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND2056_0 |
| Workunit | 31607355 |
| Created | 24 Oct 2026, 23:18:45 UTC |
| Sent | 24 Oct 2026, 23:19:05 UTC |
| Report deadline | 29 Oct 2026, 23:19:05 UTC |
| Received | 25 Oct 2026, 14:17:58 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654491 |
| Run time | 1 hours 44 min 53 sec |
| CPU time | 1 hours 35 min 59 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 21,377.06 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 725.06 MB |
| Peak swap size | 6.93 GB |
| Peak disk usage | 3.49 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:20:11 (33664): wrapper (7.9.26016): starting
18:20:11 (33664): 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
18:20:16 (33664): Library/usr/bin/tar.exe exited; CPU time 0.062500
18:20:16 (33664): 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\16\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\16\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) : {3835522} normal block at 0x00000228A496DB40, 8 bytes long.
Data: < ( > 00 00 D4 A4 28 02 00 00
..\lib\diagnostics_win.cpp(417) : {3834082} normal block at 0x00000228A6973FC0, 1080 bytes long.
Data: < U , > BC 55 00 00 CD CD CD CD 2C 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x00000228A496E7E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
19:53:57 (20356): wrapper (7.9.26016): starting
19:53:57 (20356): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ÇÏÀ§ µð·ºÅ͸® ¶Ç´Â ÆÄÀÏ C:\ProgramData\BOINC\slots\16\tmpÀÌ(°¡) ÀÌ¹Ì ÀÖ½À´Ï´Ù.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1751} normal block at 0x0000012C6CDA66E0, 8 bytes long.
Data: < l, > 00 00 D7 6C 2C 01 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x0000012C6CDA7AC0, 1080 bytes long.
Data: < H > E0 85 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
20:55:09 (36468): wrapper (7.9.26016): starting
20:55:09 (36468): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ÇÏÀ§ µð·ºÅ͸® ¶Ç´Â ÆÄÀÏ C:\ProgramData\BOINC\slots\16\tmpÀÌ(°¡) ÀÌ¹Ì ÀÖ½À´Ï´Ù.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1751} normal block at 0x0000014ABFAA6670, 8 bytes long.
Data: < J > 00 00 EC BF 4A 01 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x0000014ABFAA7870, 1080 bytes long.
Data: < % , > 80 25 00 00 CD CD CD CD 2C 01 00 00 00 00 00 00
Object dump complete.
21:36:21 (18704): wrapper (7.9.26016): starting
21:36:21 (18704): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ÇÏÀ§ µð·ºÅ͸® ¶Ç´Â ÆÄÀÏ C:\ProgramData\BOINC\slots\16\tmpÀÌ(°¡) ÀÌ¹Ì ÀÖ½À´Ï´Ù.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1751} normal block at 0x000001EB68B26660, 8 bytes long.
Data: < Zj > 00 00 5A 6A EB 01 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x000001EB68B27450, 1080 bytes long.
Data: <0Z L > 30 5A 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
22:51:53 (35624): wrapper (7.9.26016): starting
22:51:53 (35624): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ÇÏÀ§ µð·ºÅ͸® ¶Ç´Â ÆÄÀÏ C:\ProgramData\BOINC\slots\16\tmpÀÌ(°¡) ÀÌ¹Ì ÀÖ½À´Ï´Ù.
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
23:16:20 (35624): C:/Windows/system32/cmd.exe exited; CPU time 1270.828125
23:16:20 (35624): 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: 33903335 bytes.
Dumping objects ->
{1839} normal block at 0x0000028D4FEB54C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1828} normal block at 0x0000028D4FEB5760, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1817} normal block at 0x0000028D4FEB5990, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1806} normal block at 0x0000028D4FEB5450, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1795} normal block at 0x0000028D4FEB5920, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1764} normal block at 0x0000028D4FE9BD80, 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) : {1751} normal block at 0x0000028D4FEB6CB0, 8 bytes long.
Data: < PP > 00 00 50 50 8D 02 00 00
{312} normal block at 0x0000028D4FEB6B20, 8 bytes long.
Data: <px O > 70 78 EB 4F 8D 02 00 00
{303} normal block at 0x0000028D4FEA7360, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{302} normal block at 0x0000028D4FEB6760, 16 bytes long.
Data: <xw O > 78 77 EB 4F 8D 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000028D4FEB68F0, 16 bytes long.
Data: <Pw O > 50 77 EB 4F 8D 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000028D4FEB0A60, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{299} normal block at 0x0000028D4FEB70C0, 16 bytes long.
Data: <(w O > 28 77 EB 4F 8D 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000028D4FEB6490, 16 bytes long.
Data: < w O > 00 77 EB 4F 8D 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000028D4FEB6AD0, 16 bytes long.
Data: < v O > D8 76 EB 4F 8D 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000028D4FEB6C60, 16 bytes long.
Data: < v O > B0 76 EB 4F 8D 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000028D4FEB58B0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{294} normal block at 0x0000028D4FEB6A80, 16 bytes long.
Data: <H` O > 48 60 EB 4F 8D 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000028D4FEB01C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{292} normal block at 0x0000028D4FEB7070, 16 bytes long.
Data: < ` O > 20 60 EB 4F 8D 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000028D4FEB6990, 16 bytes long.
Data: < _ O > F8 5F EB 4F 8D 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000028D4FEB6620, 16 bytes long.
Data: < _ O > D0 5F EB 4F 8D 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000028D4FEB7020, 16 bytes long.
Data: < _ O > A8 5F EB 4F 8D 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000028D4FEB6C10, 16 bytes long.
Data: < _ O > 80 5F EB 4F 8D 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000028D4FEB7110, 16 bytes long.
Data: <X_ O > 58 5F EB 4F 8D 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000028D4FEB0A00, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{284} normal block at 0x0000028D4FEB6D00, 16 bytes long.
Data: <0_ O > 30 5F EB 4F 8D 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000028D4FEB5F30, 320 bytes long.
Data: < m O O > 00 6D EB 4F 8D 02 00 00 00 0A EB 4F 8D 02 00 00
{282} normal block at 0x0000028D4FEB6DF0, 16 bytes long.
Data: < v O > 90 76 EB 4F 8D 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000028D4FEB6580, 16 bytes long.
Data: <hv O > 68 76 EB 4F 8D 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000028D4FEB0580, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{279} normal block at 0x0000028D4FEB6710, 16 bytes long.
Data: <@v O > 40 76 EB 4F 8D 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000028D4FEB0820, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{277} normal block at 0x0000028D4FEB6850, 16 bytes long.
Data: < u O > 88 75 EB 4F 8D 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000028D4FEB6FD0, 16 bytes long.
Data: <`u O > 60 75 EB 4F 8D 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000028D4FEB6F80, 16 bytes long.
Data: <8u O > 38 75 EB 4F 8D 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000028D4FEB7160, 16 bytes long.
Data: < u O > 10 75 EB 4F 8D 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000028D4FEB66C0, 16 bytes long.
Data: < t O > E8 74 EB 4F 8D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000028D4FEB6B70, 16 bytes long.
Data: < t O > C0 74 EB 4F 8D 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000028D4FEB6670, 16 bytes long.
Data: < S O > E0 53 EB 4F 8D 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000028D4FEB53E0, 40 bytes long.
Data: <pf O O > 70 66 EB 4F 8D 02 00 00 80 BD E9 4F 8D 02 00 00
{268} normal block at 0x0000028D4FEB6DA0, 16 bytes long.
Data: < t O > A0 74 EB 4F 8D 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000028D4FEB6F30, 16 bytes long.
Data: <xt O > 78 74 EB 4F 8D 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000028D4FEAFFE0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{265} normal block at 0x0000028D4FEB6940, 16 bytes long.
Data: <Pt O > 50 74 EB 4F 8D 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000028D4FEB7450, 992 bytes long.
Data: <@i O O > 40 69 EB 4F 8D 02 00 00 E0 FF EA 4F 8D 02 00 00
{100} normal block at 0x0000028D4FEB0100, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{99} normal block at 0x0000028D4FEAE200, 16 bytes long.
Data: <pS O > 70 53 EB 4F 8D 02 00 00 00 00 00 00 00 00 00 00
{98} normal block at 0x0000028D4FEB5370, 40 bytes long.
Data: < O O > 00 E2 EA 4F 8D 02 00 00 00 01 EB 4F 8D 02 00 00
{75} normal block at 0x0000028D4FEAECF0, 16 bytes long.
Data: < p > 80 EA DF 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000028D4FEAEA70, 16 bytes long.
Data: <@ p > 40 E9 DF 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000028D4FEADF30, 16 bytes long.
Data: < W p > F8 57 DC 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000028D4FEAE570, 16 bytes long.
Data: < W p > D8 57 DC 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000028D4FEAE700, 16 bytes long.
Data: <P p > 50 04 DC 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000028D4FEAE890, 16 bytes long.
Data: <0 p > 30 04 DC 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000028D4FEAE520, 16 bytes long.
Data: < p > E0 02 DC 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000028D4FEAE430, 16 bytes long.
Data: < p > 10 04 DC 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000028D4FEAEA20, 16 bytes long.
Data: <p p > 70 04 DC 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000028D4FEAE3E0, 16 bytes long.
Data: < p > 18 C0 DA 70 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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