Task 38679943
| Name | test_364-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND4325_0 |
| Workunit | 31621695 |
| Created | 26 Oct 2026, 22:16:27 UTC |
| Sent | 26 Oct 2026, 22:16:32 UTC |
| Report deadline | 31 Oct 2026, 22:16:32 UTC |
| Received | 26 Oct 2026, 23:08:26 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 630161 |
| Run time | 23 min 7 sec |
| CPU time | 21 min 42 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 44,749.87 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 718.83 MB |
| Peak swap size | 9.98 GB |
| Peak disk usage | 3.74 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
18:17:43 (23188): wrapper (7.9.26016): starting
18:17:43 (23188): 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
18:17:44 (23188): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:17:44 (23188): 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 'D:\BOINC\slots\10\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 'D:\BOINC\slots\10\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) : {3835114} normal block at 0x0000019E5A494EF0, 8 bytes long.
Data: < EZ > 00 00 45 5A 9E 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833946} normal block at 0x0000019E5CEB26B0, 1080 bytes long.
Data: < > A0 1A 00 00 CD CD CD CD 00 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000019E5A492FA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
18:54:52 (5716): wrapper (7.9.26016): starting
18:54:52 (5716): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\10\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
19:08:05 (5716): C:/Windows/system32/cmd.exe exited; CPU time 782.812500
19:08:05 (5716): 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: 11924794 bytes.
Dumping objects ->
{1555} normal block at 0x000001D01F64DEB0, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{1544} normal block at 0x000001D01F64F050, 32 bytes long.
Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{1533} normal block at 0x000001D01F64F2F0, 32 bytes long.
Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{1522} normal block at 0x000001D01F64F5F0, 32 bytes long.
Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{1511} normal block at 0x000001D01F64F350, 32 bytes long.
Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C
{1480} normal block at 0x000001D01F64E000, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{1469} normal block at 0x000001D01F63A190, 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) : {1466} normal block at 0x000001D01F654C70, 8 bytes long.
Data: < > 00 00 FC 1F D0 01 00 00
{872} normal block at 0x000001D01F63D8F0, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{299} normal block at 0x000001D01F654220, 8 bytes long.
Data: <0Ye > 30 59 65 1F D0 01 00 00
{290} normal block at 0x000001D01F650E10, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x000001D01F654D10, 16 bytes long.
Data: < @e > 88 40 65 1F D0 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D01F6545E0, 16 bytes long.
Data: <`@e > 60 40 65 1F D0 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001D01F64F590, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x000001D01F654540, 16 bytes long.
Data: <8@e > 38 40 65 1F D0 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D01F654590, 16 bytes long.
Data: < @e > 10 40 65 1F D0 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001D01F6548B0, 16 bytes long.
Data: < ?e > E8 3F 65 1F D0 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001D01F649160, 16 bytes long.
Data: < ?e > C0 3F 65 1F D0 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D01F64E3F0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x000001D01F649070, 16 bytes long.
Data: <( c > 28 A1 63 1F D0 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D01F64EED0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x000001D01F648E40, 16 bytes long.
Data: < c > 00 A1 63 1F D0 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D01F649200, 16 bytes long.
Data: < c > D8 A0 63 1F D0 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001D01F649890, 16 bytes long.
Data: < c > B0 A0 63 1F D0 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001D01F652600, 16 bytes long.
Data: < c > 88 A0 63 1F D0 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001D01F652BA0, 16 bytes long.
Data: <` c > 60 A0 63 1F D0 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D01F652B50, 16 bytes long.
Data: <8 c > 38 A0 63 1F D0 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D01F64EE70, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x000001D01F652650, 16 bytes long.
Data: < c > 10 A0 63 1F D0 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D01F63A010, 320 bytes long.
Data: <P&e p d > 50 26 65 1F D0 01 00 00 70 EE 64 1F D0 01 00 00
{269} normal block at 0x000001D01F652AB0, 16 bytes long.
Data: < ?e > A0 3F 65 1F D0 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D01F652830, 16 bytes long.
Data: <x?e > 78 3F 65 1F D0 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D01F64EE10, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x000001D01F6525B0, 16 bytes long.
Data: <P?e > 50 3F 65 1F D0 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D01F64FBF0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x000001D01F652790, 16 bytes long.
Data: < >e > 98 3E 65 1F D0 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001D01F652560, 16 bytes long.
Data: <p>e > 70 3E 65 1F D0 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001D01F6528D0, 16 bytes long.
Data: <H>e > 48 3E 65 1F D0 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001D01F652A10, 16 bytes long.
Data: < >e > 20 3E 65 1F D0 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001D01F6527E0, 16 bytes long.
Data: < =e > F8 3D 65 1F D0 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001D01F6497A0, 16 bytes long.
Data: < =e > D0 3D 65 1F D0 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001D01F649750, 16 bytes long.
Data: < d > D0 DD 64 1F D0 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001D01F64DDD0, 40 bytes long.
Data: <P d d > 50 97 64 1F D0 01 00 00 00 E0 64 1F D0 01 00 00
{255} normal block at 0x000001D01F649660, 16 bytes long.
Data: < =e > B0 3D 65 1F D0 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001D01F649020, 16 bytes long.
Data: < =e > 88 3D 65 1F D0 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001D01F64F3B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x000001D01F649340, 16 bytes long.
Data: <`=e > 60 3D 65 1F D0 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000001D01F653D60, 992 bytes long.
Data: <@ d d > 40 93 64 1F D0 01 00 00 B0 F3 64 1F D0 01 00 00
{87} normal block at 0x000001D01F64F6B0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x000001D01F649610, 16 bytes long.
Data: <@ d > 40 DE 64 1F D0 01 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x000001D01F64DE40, 40 bytes long.
Data: < d d > 10 96 64 1F D0 01 00 00 B0 F6 64 1F D0 01 00 00
{64} normal block at 0x000001D01F649570, 16 bytes long.
Data: < 8m > 80 EA 38 6D F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001D01F648B20, 16 bytes long.
Data: <@ 8m > 40 E9 38 6D F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001D01F6492F0, 16 bytes long.
Data: < W5m > F8 57 35 6D F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001D01F648FD0, 16 bytes long.
Data: < W5m > D8 57 35 6D F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001D01F649930, 16 bytes long.
Data: <P 5m > 50 04 35 6D F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001D01F648A80, 16 bytes long.
Data: <0 5m > 30 04 35 6D F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001D01F6495C0, 16 bytes long.
Data: < 5m > E0 02 35 6D F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001D01F649390, 16 bytes long.
Data: < 5m > 10 04 35 6D F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001D01F648F80, 16 bytes long.
Data: <p 5m > 70 04 35 6D F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001D01F648F30, 16 bytes long.
Data: < 3m > 18 C0 33 6D F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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