Task 38666429
| Name | test_780-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND0536_1 |
| Workunit | 31609311 |
| Created | 25 Oct 2026, 3:12:50 UTC |
| Sent | 25 Oct 2026, 3:22:35 UTC |
| Report deadline | 30 Oct 2026, 3:22:35 UTC |
| Received | 25 Oct 2026, 16:43:02 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648901 |
| Run time | 31 min |
| CPU time | 27 min 18 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 20,670.50 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 703.75 MB |
| Peak swap size | 8.42 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
22:10:38 (7912): wrapper (7.9.26016): starting
22:10:38 (7912): 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
22:10:39 (7912): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:10:39 (7912): 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\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 'C:\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) : {3835110} normal block at 0x00000239DDA7DA20, 8 bytes long.
Data: < 9 > 00 00 A1 DD 39 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x00000239DDA84730, 1080 bytes long.
Data: < C > 14 43 00 00 CD CD CD CD 04 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000239DDA81BF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
08:37:05 (25292): wrapper (7.9.26016): starting
08:37:05 (25292): 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\17\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1456} normal block at 0x000001DB65616A50, 8 bytes long.
Data: < \e > 00 00 5C 65 DB 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001DB65616D90, 1080 bytes long.
Data: < + L > E0 2B 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
10:32:25 (27636): wrapper (7.9.26016): starting
10:32:25 (27636): 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\17\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1456} normal block at 0x0000024F45856C50, 8 bytes long.
Data: < EO > 00 00 C4 45 4F 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000024F45856D60, 1080 bytes long.
Data: < m P > A4 6D 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
10:39:57 (29880): wrapper (7.9.26016): starting
10:39:57 (29880): 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\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
10:42:42 (29880): C:/Windows/system32/cmd.exe exited; CPU time 124.453125
10:42:42 (29880): 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: 3042009 bytes.
Dumping objects ->
{1544} normal block at 0x0000022927935100, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1533} normal block at 0x0000022927935090, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1522} normal block at 0x0000022927934FB0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1511} normal block at 0x0000022927935480, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1500} normal block at 0x00000229279351E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1469} normal block at 0x0000022927929470, 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) : {1456} normal block at 0x0000022927936030, 8 bytes long.
Data: < ') > 00 00 90 27 29 02 00 00
{305} normal block at 0x00000229279361C0, 8 bytes long.
Data: <pm ') > 70 6D 93 27 29 02 00 00
{296} normal block at 0x0000022927926750, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x0000022927936850, 16 bytes long.
Data: <h\ ') > 68 5C 93 27 29 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000022927936B20, 16 bytes long.
Data: <@\ ') > 40 5C 93 27 29 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000022927930130, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x0000022927936760, 16 bytes long.
Data: < \ ') > 18 5C 93 27 29 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000022927936670, 16 bytes long.
Data: < [ ') > F0 5B 93 27 29 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000022927936580, 16 bytes long.
Data: < [ ') > C8 5B 93 27 29 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000022927936D00, 16 bytes long.
Data: < [ ') > A0 5B 93 27 29 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000022927935330, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x0000022927936170, 16 bytes long.
Data: < ') > D8 F6 91 27 29 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002292792FD10, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x0000022927936800, 16 bytes long.
Data: < ') > B0 F6 91 27 29 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000022927936C10, 16 bytes long.
Data: < ') > 88 F6 91 27 29 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000022927936710, 16 bytes long.
Data: <` ') > 60 F6 91 27 29 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000022927936620, 16 bytes long.
Data: <8 ') > 38 F6 91 27 29 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000022927936530, 16 bytes long.
Data: < ') > 10 F6 91 27 29 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000022927936CB0, 16 bytes long.
Data: < ') > E8 F5 91 27 29 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002292792FF50, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x00000229279360D0, 16 bytes long.
Data: < ') > C0 F5 91 27 29 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002292791F5C0, 320 bytes long.
Data: < ` ') P ') > D0 60 93 27 29 02 00 00 50 FF 92 27 29 02 00 00
{275} normal block at 0x00000229279367B0, 16 bytes long.
Data: < [ ') > 80 5B 93 27 29 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000022927936BC0, 16 bytes long.
Data: <X[ ') > 58 5B 93 27 29 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000229279300D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x0000022927936990, 16 bytes long.
Data: <0[ ') > 30 5B 93 27 29 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002292792FDD0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x00000229279363A0, 16 bytes long.
Data: <xZ ') > 78 5A 93 27 29 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000022927936120, 16 bytes long.
Data: <PZ ') > 50 5A 93 27 29 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000022927936B70, 16 bytes long.
Data: <(Z ') > 28 5A 93 27 29 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000229279368F0, 16 bytes long.
Data: < Z ') > 00 5A 93 27 29 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000022927936350, 16 bytes long.
Data: < Y ') > D8 59 93 27 29 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002292792DB20, 16 bytes long.
Data: < Y ') > B0 59 93 27 29 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002292792E3E0, 16 bytes long.
Data: < T ') > 10 54 93 27 29 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000022927935410, 40 bytes long.
Data: < ') p ') > E0 E3 92 27 29 02 00 00 70 94 92 27 29 02 00 00
{261} normal block at 0x000002292792E2F0, 16 bytes long.
Data: < Y ') > 90 59 93 27 29 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002292792DA30, 16 bytes long.
Data: <hY ') > 68 59 93 27 29 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002292792F950, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000002292792D800, 16 bytes long.
Data: <@Y ') > 40 59 93 27 29 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000022927935940, 992 bytes long.
Data: < ') P ') > 00 D8 92 27 29 02 00 00 50 F9 92 27 29 02 00 00
{93} normal block at 0x000002292792F410, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000002292792DDF0, 16 bytes long.
Data: < S ') > A0 53 93 27 29 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x00000229279353A0, 40 bytes long.
Data: < ') ') > F0 DD 92 27 29 02 00 00 10 F4 92 27 29 02 00 00
{70} normal block at 0x000002292792DA80, 16 bytes long.
Data: < > 80 EA 8D 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002292792DF30, 16 bytes long.
Data: <@ > 40 E9 8D 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002292792E390, 16 bytes long.
Data: < W > F8 57 8A 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002292792D8F0, 16 bytes long.
Data: < W > D8 57 8A 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002292792E4D0, 16 bytes long.
Data: <P > 50 04 8A 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002292792D710, 16 bytes long.
Data: <0 > 30 04 8A 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002292792DAD0, 16 bytes long.
Data: < > E0 02 8A 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002292792DBC0, 16 bytes long.
Data: < > 10 04 8A 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002292792D990, 16 bytes long.
Data: <p > 70 04 8A 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002292792DEE0, 16 bytes long.
Data: < > 18 C0 88 9A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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