Task 38673472
| Name | test_494-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND5420_0 |
| Workunit | 31615546 |
| Created | 26 Oct 2026, 2:30:56 UTC |
| Sent | 26 Oct 2026, 2:31:05 UTC |
| Report deadline | 31 Oct 2026, 2:31:05 UTC |
| Received | 26 Oct 2026, 16:18:53 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 625666 |
| Run time | 32 min 50 sec |
| CPU time | 32 min 50 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,200.74 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 673.33 MB |
| Peak swap size | 6.88 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:33:51 (30084): wrapper (7.9.26016): starting
21:33:51 (30084): 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
21:34:03 (30084): Library/usr/bin/tar.exe exited; CPU time 0.062500
21:34:03 (30084): 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 'G:\BOINC\DATA\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 'G:\BOINC\DATA\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) : {3835202} normal block at 0x000001676BAF8FF0, 8 bytes long.
Data: < kg > 00 00 AD 6B 67 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833964} normal block at 0x000001676D867BF0, 1080 bytes long.
Data: < o h > 18 6F 00 00 CD CD CD CD 68 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001676BB01F90, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
10:48:53 (10936): wrapper (7.9.26016): starting
10:48:53 (10936): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file G:\BOINC\DATA\slots\0\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
11:17:41 (10936): C:/Windows/system32/cmd.exe exited; CPU time 1715.828125
11:17:41 (10936): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 32593582 bytes.
Dumping objects ->
{1634} normal block at 0x000001FB54DFDA00, 48 bytes long.
Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41
{1623} normal block at 0x000001FB54DFBE30, 32 bytes long.
Data: <HOME=G:\BOINC\DA> 48 4F 4D 45 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41
{1612} normal block at 0x000001FB54DFBBF0, 32 bytes long.
Data: <TMP=G:\BOINC\DAT> 54 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 54
{1601} normal block at 0x000001FB54DFC5B0, 32 bytes long.
Data: <TEMP=G:\BOINC\DA> 54 45 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41
{1590} normal block at 0x000001FB54DFC250, 32 bytes long.
Data: <TMPDIR=G:\BOINC\> 54 4D 50 44 49 52 3D 47 3A 5C 42 4F 49 4E 43 5C
{1559} normal block at 0x000001FB54DFD6F0, 48 bytes long.
Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41
{1548} normal block at 0x000001FB54DEB770, 85 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) : {1545} normal block at 0x000001FB54E01ED0, 8 bytes long.
Data: < wV > 00 00 77 56 FB 01 00 00
{917} normal block at 0x000001FB54DEB6D0, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{308} normal block at 0x000001FB54E02010, 8 bytes long.
Data: < @ T > 80 40 E0 54 FB 01 00 00
{299} normal block at 0x000001FB54DE60D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x000001FB54E02740, 16 bytes long.
Data: < ? T > 88 3F E0 54 FB 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001FB54E02380, 16 bytes long.
Data: <`? T > 60 3F E0 54 FB 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001FB54DFC3D0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x000001FB54E026F0, 16 bytes long.
Data: <8? T > 38 3F E0 54 FB 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001FB54E02150, 16 bytes long.
Data: < ? T > 10 3F E0 54 FB 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001FB54E020B0, 16 bytes long.
Data: < > T > E8 3E E0 54 FB 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001FB54E02330, 16 bytes long.
Data: < > T > C0 3E E0 54 FB 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001FB54DFDD10, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x000001FB54E02600, 16 bytes long.
Data: <h` T > 68 60 DE 54 FB 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001FB54DFBA10, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x000001FB54E01FC0, 16 bytes long.
Data: <@` T > 40 60 DE 54 FB 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001FB54E01F70, 16 bytes long.
Data: < ` T > 18 60 DE 54 FB 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001FB54E027E0, 16 bytes long.
Data: < _ T > F0 5F DE 54 FB 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001FB54E026A0, 16 bytes long.
Data: < _ T > C8 5F DE 54 FB 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FB54E01E80, 16 bytes long.
Data: < _ T > A0 5F DE 54 FB 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FB54E02790, 16 bytes long.
Data: <x_ T > 78 5F DE 54 FB 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001FB54DFC6D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x000001FB54E02100, 16 bytes long.
Data: <P_ T > 50 5F DE 54 FB 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001FB54DE5F50, 320 bytes long.
Data: < ! T T > 00 21 E0 54 FB 01 00 00 D0 C6 DF 54 FB 01 00 00
{278} normal block at 0x000001FB54E01D90, 16 bytes long.
Data: < > T > A0 3E E0 54 FB 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001FB54E01980, 16 bytes long.
Data: <x> T > 78 3E E0 54 FB 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001FB54DFC190, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x000001FB54E01D40, 16 bytes long.
Data: <P> T > 50 3E E0 54 FB 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001FB54DFC1F0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x000001FB54E01B10, 16 bytes long.
Data: < = T > 98 3D E0 54 FB 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FB54E02560, 16 bytes long.
Data: <p= T > 70 3D E0 54 FB 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001FB54E01A20, 16 bytes long.
Data: <H= T > 48 3D E0 54 FB 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FB54E01E30, 16 bytes long.
Data: < = T > 20 3D E0 54 FB 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001FB54E01AC0, 16 bytes long.
Data: < < T > F8 3C E0 54 FB 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001FB54E01F20, 16 bytes long.
Data: < < T > D0 3C E0 54 FB 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FB54E02650, 16 bytes long.
Data: <p T > 70 DA DF 54 FB 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001FB54DFDA70, 40 bytes long.
Data: <P& T T > 50 26 E0 54 FB 01 00 00 F0 D6 DF 54 FB 01 00 00
{264} normal block at 0x000001FB54E01CA0, 16 bytes long.
Data: < < T > B0 3C E0 54 FB 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001FB54E01C00, 16 bytes long.
Data: < < T > 88 3C E0 54 FB 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001FB54DFBEF0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x000001FB54E01BB0, 16 bytes long.
Data: <`< T > 60 3C E0 54 FB 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001FB54E03C60, 992 bytes long.
Data: < T T > B0 1B E0 54 FB 01 00 00 F0 BE DF 54 FB 01 00 00
{96} normal block at 0x000001FB54DFC670, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x000001FB54DF7450, 16 bytes long.
Data: < T > E0 DA DF 54 FB 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000001FB54DFDAE0, 40 bytes long.
Data: <Pt T p T > 50 74 DF 54 FB 01 00 00 70 C6 DF 54 FB 01 00 00
{73} normal block at 0x000001FB54DF72C0, 16 bytes long.
Data: < > 80 EA D2 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001FB54DF6AF0, 16 bytes long.
Data: <@ > 40 E9 D2 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001FB54DF7680, 16 bytes long.
Data: < W > F8 57 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001FB54DF6FF0, 16 bytes long.
Data: < W > D8 57 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001FB54DF7630, 16 bytes long.
Data: <P > 50 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001FB54DF75E0, 16 bytes long.
Data: <0 > 30 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001FB54DF6B40, 16 bytes long.
Data: < > E0 02 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001FB54DF78B0, 16 bytes long.
Data: < > 10 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001FB54DF7900, 16 bytes long.
Data: <p > 70 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001FB54DF7860, 16 bytes long.
Data: < > 18 C0 CD 96 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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