Task 38687435
| Name | test_98-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND2255_0 |
| Workunit | 31628825 |
| Created | 28 Oct 2026, 7:48:59 UTC |
| Sent | 28 Oct 2026, 7:49:06 UTC |
| Report deadline | 2 Nov 2026, 7:49:06 UTC |
| Received | 28 Oct 2026, 14:53:44 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 609617 |
| Run time | 58 min 25 sec |
| CPU time | 58 min 25 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,564.25 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 687.87 MB |
| Peak swap size | 9.76 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:45:35 (6820): wrapper (7.9.26016): starting
14:45:35 (6820): 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
14:45:39 (6820): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:45:40 (6820): 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\9\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\9\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) : {3835155} normal block at 0x0000024B17946B70, 8 bytes long.
Data: < * K > 00 00 2A 19 4B 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833944} normal block at 0x0000024B1952EA40, 1080 bytes long.
Data: <@$ > 40 24 00 00 CD CD CD CD 8C 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000024B1794FCA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:44:06 (9736): wrapper (7.9.26016): starting
16:44:06 (9736): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\9\tmp 㦥 áãé¥áâ¢ã¥â.
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
16:53:48 (9736): C:/Windows/system32/cmd.exe exited; CPU time 460.328125
16:53:48 (9736): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 4438986 bytes.
Dumping objects ->
{1597} normal block at 0x00000251BF8CBF80, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1586} normal block at 0x00000251BF8CC290, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1575} normal block at 0x00000251BF8CC1B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1564} normal block at 0x00000251BF8CC0D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1553} normal block at 0x00000251BF8CBE30, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1522} normal block at 0x00000251BF8B6240, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1511} normal block at 0x00000251BF8BBCE0, 180 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) : {1508} normal block at 0x00000251BF8D44D0, 8 bytes long.
Data: < Q > 00 00 88 BF 51 02 00 00
{901} normal block at 0x00000251BF8BC190, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{298} normal block at 0x00000251BF8D4480, 8 bytes long.
Data: < 7 Q > 90 37 8D BF 51 02 00 00
{289} normal block at 0x00000251BF8B8DF0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x00000251BF8D4A70, 16 bytes long.
Data: < b Q > 98 62 8D BF 51 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000251BF8D4430, 16 bytes long.
Data: <pb Q > 70 62 8D BF 51 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000251BF8CD610, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x00000251BF8D43E0, 16 bytes long.
Data: <Hb Q > 48 62 8D BF 51 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000251BF8D47A0, 16 bytes long.
Data: < b Q > 20 62 8D BF 51 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000251BF8D4390, 16 bytes long.
Data: < a Q > F8 61 8D BF 51 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000251BF8D4750, 16 bytes long.
Data: < a Q > D0 61 8D BF 51 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000251BF8CC140, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x00000251BF8D4340, 16 bytes long.
Data: < Q > F8 CF 8C BF 51 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000251BF8CDF70, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x00000251BF8D42F0, 16 bytes long.
Data: < Q > D0 CF 8C BF 51 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000251BF8D3E40, 16 bytes long.
Data: < Q > A8 CF 8C BF 51 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000251BF8D4CA0, 16 bytes long.
Data: < Q > 80 CF 8C BF 51 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000251BF8D3F80, 16 bytes long.
Data: <X Q > 58 CF 8C BF 51 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000251BF8D4700, 16 bytes long.
Data: <0 Q > 30 CF 8C BF 51 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000251BF8D4C00, 16 bytes long.
Data: < Q > 08 CF 8C BF 51 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000251BF8CD2B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x00000251BF8D4BB0, 16 bytes long.
Data: < Q > E0 CE 8C BF 51 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000251BF8CCEE0, 320 bytes long.
Data: < K Q Q > B0 4B 8D BF 51 02 00 00 B0 D2 8C BF 51 02 00 00
{268} normal block at 0x00000251BF8D4110, 16 bytes long.
Data: < a Q > B0 61 8D BF 51 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000251BF8D48E0, 16 bytes long.
Data: < a Q > 88 61 8D BF 51 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000251BF8CDD90, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x00000251BF8D4020, 16 bytes long.
Data: <`a Q > 60 61 8D BF 51 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000251BF8CD6D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x00000251BF8D4250, 16 bytes long.
Data: < ` Q > A8 60 8D BF 51 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000251BF8D46B0, 16 bytes long.
Data: < ` Q > 80 60 8D BF 51 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000251BF8D4D40, 16 bytes long.
Data: <X` Q > 58 60 8D BF 51 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000251BF8D4660, 16 bytes long.
Data: <0` Q > 30 60 8D BF 51 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000251BF8D3EE0, 16 bytes long.
Data: < ` Q > 08 60 8D BF 51 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000251BF8D42A0, 16 bytes long.
Data: < _ Q > E0 5F 8D BF 51 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000251BF8D45C0, 16 bytes long.
Data: <` Q > 60 C0 8C BF 51 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000251BF8CC060, 40 bytes long.
Data: < E Q @b Q > C0 45 8D BF 51 02 00 00 40 62 8B BF 51 02 00 00
{254} normal block at 0x00000251BF8D4980, 16 bytes long.
Data: < _ Q > C0 5F 8D BF 51 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000251BF8D3FD0, 16 bytes long.
Data: < _ Q > 98 5F 8D BF 51 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x00000251BF8CD190, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x00000251BF8D40C0, 16 bytes long.
Data: <p_ Q > 70 5F 8D BF 51 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x00000251BF8D5F70, 992 bytes long.
Data: < @ Q Q > C0 40 8D BF 51 02 00 00 90 D1 8C BF 51 02 00 00
{86} normal block at 0x00000251BF8CD130, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x00000251BF8C71C0, 16 bytes long.
Data: < Q > 20 C2 8C BF 51 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x00000251BF8CC220, 40 bytes long.
Data: < q Q 0 Q > C0 71 8C BF 51 02 00 00 30 D1 8C BF 51 02 00 00
{63} normal block at 0x00000251BF8C7800, 16 bytes long.
Data: < v > 80 EA 05 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000251BF8C7080, 16 bytes long.
Data: <@ v > 40 E9 05 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000251BF8C7A80, 16 bytes long.
Data: < W v > F8 57 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000251BF8C7AD0, 16 bytes long.
Data: < W v > D8 57 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000251BF8C7F80, 16 bytes long.
Data: <P v > 50 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000251BF8C75D0, 16 bytes long.
Data: <0 v > 30 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000251BF8C7CB0, 16 bytes long.
Data: < v > E0 02 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000251BF8C7E90, 16 bytes long.
Data: < v > 10 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x00000251BF8C7C10, 16 bytes long.
Data: <p v > 70 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x00000251BF8C7670, 16 bytes long.
Data: < v > 18 C0 00 76 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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