Task 38665920
| Name | test_931-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND4781_0 |
| Workunit | 31608962 |
| Created | 25 Oct 2026, 1:46:22 UTC |
| Sent | 25 Oct 2026, 2:11:21 UTC |
| Report deadline | 30 Oct 2026, 2:11:21 UTC |
| Received | 25 Oct 2026, 13:29:44 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 625666 |
| Run time | 34 min 40 sec |
| CPU time | 32 min 25 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 | 694.36 MB |
| Peak swap size | 6.87 GB |
| Peak disk usage | 3.58 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:33:23 (7552): wrapper (7.9.26016): starting
21:33:23 (7552): 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
21:33:24 (7552): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:33:24 (7552): 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 0x0000028165847CD0, 8 bytes long.
Data: < (g > 00 00 28 67 81 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833964} normal block at 0x000002816592EA00, 1080 bytes long.
Data: < g t > 90 67 00 00 CD CD CD CD 74 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000281658539E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
08:03:24 (28896): wrapper (7.9.26016): starting
08:03:24 (28896): 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
08:28:25 (28896): C:/Windows/system32/cmd.exe exited; CPU time 1500.187500
08:28:25 (28896): 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: 27399756 bytes.
Dumping objects ->
{1634} normal block at 0x000001FDB3AEDBC0, 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 0x000001FDB3AEC610, 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 0x000001FDB3AEBC50, 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 0x000001FDB3AEC490, 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 0x000001FDB3AEBB30, 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 0x000001FDB3AEDCA0, 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 0x000001FDB3ADB340, 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 0x000001FDB3AF1A70, 8 bytes long.
Data: < L > 00 00 4C B5 FD 01 00 00
{917} normal block at 0x000001FDB3ADB2A0, 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 0x000001FDB3AF2010, 8 bytes long.
Data: < @ > 80 40 AF B3 FD 01 00 00
{299} normal block at 0x000001FDB3AD60D0, 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 0x000001FDB3AF2470, 16 bytes long.
Data: < ? > 88 3F AF B3 FD 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001FDB3AF23D0, 16 bytes long.
Data: <`? > 60 3F AF B3 FD 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001FDB3AEC5B0, 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 0x000001FDB3AF2380, 16 bytes long.
Data: <8? > 38 3F AF B3 FD 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001FDB3AF2330, 16 bytes long.
Data: < ? > 10 3F AF B3 FD 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001FDB3AF22E0, 16 bytes long.
Data: < > > E8 3E AF B3 FD 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001FDB3AF2150, 16 bytes long.
Data: < > > C0 3E AF B3 FD 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001FDB3AEDB50, 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 0x000001FDB3AF1F70, 16 bytes long.
Data: <h` > 68 60 AD B3 FD 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001FDB3AEC1F0, 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 0x000001FDB3AF1E80, 16 bytes long.
Data: <@` > 40 60 AD B3 FD 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001FDB3AF2420, 16 bytes long.
Data: < ` > 18 60 AD B3 FD 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001FDB3AF1CA0, 16 bytes long.
Data: < _ > F0 5F AD B3 FD 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001FDB3AF1C00, 16 bytes long.
Data: < _ > C8 5F AD B3 FD 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FDB3AF1AC0, 16 bytes long.
Data: < _ > A0 5F AD B3 FD 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FDB3AF21F0, 16 bytes long.
Data: <x_ > 78 5F AD B3 FD 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001FDB3AEC550, 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 0x000001FDB3AF1F20, 16 bytes long.
Data: <P_ > 50 5F AD B3 FD 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001FDB3AD5F50, 320 bytes long.
Data: < P > 20 1F AF B3 FD 01 00 00 50 C5 AE B3 FD 01 00 00
{278} normal block at 0x000001FDB3AF1D40, 16 bytes long.
Data: < > > A0 3E AF B3 FD 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001FDB3AF2790, 16 bytes long.
Data: <x> > 78 3E AF B3 FD 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001FDB3AEB830, 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 0x000001FDB3AF1B60, 16 bytes long.
Data: <P> > 50 3E AF B3 FD 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001FDB3AEBEF0, 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 0x000001FDB3AF1C50, 16 bytes long.
Data: < = > 98 3D AF B3 FD 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FDB3AF2060, 16 bytes long.
Data: <p= > 70 3D AF B3 FD 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001FDB3AF2290, 16 bytes long.
Data: <H= > 48 3D AF B3 FD 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FDB3AF1B10, 16 bytes long.
Data: < = > 20 3D AF B3 FD 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001FDB3AF1BB0, 16 bytes long.
Data: < < > F8 3C AF B3 FD 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001FDB3AF1FC0, 16 bytes long.
Data: < < > D0 3C AF B3 FD 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FDB3AF18E0, 16 bytes long.
Data: <` > 60 D7 AE B3 FD 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001FDB3AED760, 40 bytes long.
Data: < > E0 18 AF B3 FD 01 00 00 A0 DC AE B3 FD 01 00 00
{264} normal block at 0x000001FDB3AF1A20, 16 bytes long.
Data: < < > B0 3C AF B3 FD 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001FDB3AF26F0, 16 bytes long.
Data: < < > 88 3C AF B3 FD 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001FDB3AEC4F0, 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 0x000001FDB3AF1980, 16 bytes long.
Data: <`< > 60 3C AF B3 FD 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001FDB3AF3C60, 992 bytes long.
Data: < > 80 19 AF B3 FD 01 00 00 F0 C4 AE B3 FD 01 00 00
{96} normal block at 0x000001FDB3AEBBF0, 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 0x000001FDB3AE7400, 16 bytes long.
Data: <p > 70 DA AE B3 FD 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000001FDB3AEDA70, 40 bytes long.
Data: < t > 00 74 AE B3 FD 01 00 00 F0 BB AE B3 FD 01 00 00
{73} normal block at 0x000001FDB3AE6E10, 16 bytes long.
Data: < > 80 EA D2 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001FDB3AE6F00, 16 bytes long.
Data: <@ > 40 E9 D2 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001FDB3AE6DC0, 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 0x000001FDB3AE7450, 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 0x000001FDB3AE73B0, 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 0x000001FDB3AE6BE0, 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 0x000001FDB3AE7950, 16 bytes long.
Data: < > E0 02 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001FDB3AE7770, 16 bytes long.
Data: < > 10 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001FDB3AE7220, 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 0x000001FDB3AE6F50, 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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