Task 38648016
| Name | test_880-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND0137_0 |
| Workunit | 31592735 |
| Created | 23 Oct 2026, 20:28:09 UTC |
| Sent | 23 Oct 2026, 21:37:15 UTC |
| Report deadline | 28 Oct 2026, 21:37:15 UTC |
| Received | 24 Oct 2026, 23:35:13 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 561090 |
| Run time | 5 hours 45 min 40 sec |
| CPU time | 5 hours 45 min 40 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 8,189.73 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 3.93 GB |
| Peak swap size | 3.75 GB |
| Peak disk usage | 4.12 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
06:19:46 (12472): wrapper (7.9.26016): starting
06:19:46 (12472): 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
06:19:48 (12472): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:19:48 (12472): 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\8\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\8\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) : {3835103} normal block at 0x000001BFEA9767C0, 8 bytes long.
Data: < > 00 00 95 EA BF 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833950} normal block at 0x000001BFEC421CA0, 1080 bytes long.
Data: < > d > 1C 3E 00 00 CD CD CD CD 64 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001BFEA980650, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
13:07:07 (25780): wrapper (7.9.26016): starting
13:07:07 (25780): 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\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1453} normal block at 0x00000155B8E94000, 8 bytes long.
Data: < U > 00 00 E5 B8 55 01 00 00
..\lib\diagnostics_win.cpp(417) : {300} normal block at 0x00000155B8E95110, 1080 bytes long.
Data: <Tz D > 54 7A 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
16:09:12 (29348): wrapper (7.9.26016): starting
16:09:12 (29348): 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\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1453} normal block at 0x000001DF533D32D0, 8 bytes long.
Data: < 8S > 00 00 38 53 DF 01 00 00
..\lib\diagnostics_win.cpp(417) : {300} normal block at 0x000001DF533D4C20, 1080 bytes long.
Data: < Q , > BC 51 00 00 CD CD CD CD 2C 01 00 00 00 00 00 00
Object dump complete.
17:56:43 (10796): wrapper (7.9.26016): starting
17:56:43 (10796): 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\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1453} normal block at 0x0000016E49AF1650, 8 bytes long.
Data: < HKn > 00 00 48 4B 6E 01 00 00
..\lib\diagnostics_win.cpp(417) : {300} normal block at 0x0000016E49AF3C60, 1080 bytes long.
Data: < p > E4 70 00 00 CD CD CD CD A4 00 00 00 00 00 00 00
Object dump complete.
18:28:11 (6332): wrapper (7.9.26016): starting
18:28:11 (6332): 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\8\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
18:33:53 (6332): C:/Windows/system32/cmd.exe exited; CPU time 280.187500
18:33:53 (6332): 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: 6236400 bytes.
Dumping objects ->
{1541} normal block at 0x0000015B7390E2F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1530} normal block at 0x0000015B7390E050, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1519} normal block at 0x0000015B7390E280, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1508} normal block at 0x0000015B7390E210, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1497} normal block at 0x0000015B7390E1A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1466} normal block at 0x0000015B738FCF00, 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) : {1453} normal block at 0x0000015B73914340, 8 bytes long.
Data: < s[ > 00 00 8E 73 5B 01 00 00
{301} normal block at 0x0000015B73913FD0, 8 bytes long.
Data: <@\ s[ > 40 5C 91 73 5B 01 00 00
{292} normal block at 0x0000015B738FBBF0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x0000015B739145C0, 16 bytes long.
Data: <H[ s[ > 48 5B 91 73 5B 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000015B73913C60, 16 bytes long.
Data: < [ s[ > 20 5B 91 73 5B 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000015B7390C050, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x0000015B73914200, 16 bytes long.
Data: < Z s[ > F8 5A 91 73 5B 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000015B73914570, 16 bytes long.
Data: < Z s[ > D0 5A 91 73 5B 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000015B73914480, 16 bytes long.
Data: < Z s[ > A8 5A 91 73 5B 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000015B73914430, 16 bytes long.
Data: < Z s[ > 80 5A 91 73 5B 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000015B7390DFE0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x0000015B739141B0, 16 bytes long.
Data: < c s[ > A8 63 8F 73 5B 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000015B7390BD50, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x0000015B73914700, 16 bytes long.
Data: < c s[ > 80 63 8F 73 5B 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000015B73914160, 16 bytes long.
Data: <Xc s[ > 58 63 8F 73 5B 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000015B73913F80, 16 bytes long.
Data: <0c s[ > 30 63 8F 73 5B 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000015B73913990, 16 bytes long.
Data: < c s[ > 08 63 8F 73 5B 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000015B73913850, 16 bytes long.
Data: < b s[ > E0 62 8F 73 5B 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000015B73913940, 16 bytes long.
Data: < b s[ > B8 62 8F 73 5B 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000015B7390C770, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x0000015B739146B0, 16 bytes long.
Data: < b s[ > 90 62 8F 73 5B 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000015B738F6290, 320 bytes long.
Data: < F s[ p s[ > B0 46 91 73 5B 01 00 00 70 C7 90 73 5B 01 00 00
{271} normal block at 0x0000015B739142A0, 16 bytes long.
Data: <`Z s[ > 60 5A 91 73 5B 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000015B73913D50, 16 bytes long.
Data: <8Z s[ > 38 5A 91 73 5B 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000015B7390C710, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x0000015B73914660, 16 bytes long.
Data: < Z s[ > 10 5A 91 73 5B 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000015B7390C590, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x0000015B739142F0, 16 bytes long.
Data: <XY s[ > 58 59 91 73 5B 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000015B73913E90, 16 bytes long.
Data: <0Y s[ > 30 59 91 73 5B 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000015B739143E0, 16 bytes long.
Data: < Y s[ > 08 59 91 73 5B 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000015B73914070, 16 bytes long.
Data: < X s[ > E0 58 91 73 5B 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000015B73913EE0, 16 bytes long.
Data: < X s[ > B8 58 91 73 5B 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000015B73913C10, 16 bytes long.
Data: < X s[ > 90 58 91 73 5B 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000015B73914610, 16 bytes long.
Data: <` s[ > 60 E3 90 73 5B 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000015B7390E360, 40 bytes long.
Data: < F s[ s[ > 10 46 91 73 5B 01 00 00 00 CF 8F 73 5B 01 00 00
{257} normal block at 0x0000015B73913AD0, 16 bytes long.
Data: <pX s[ > 70 58 91 73 5B 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000015B73913DF0, 16 bytes long.
Data: <HX s[ > 48 58 91 73 5B 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000015B7390BF30, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x0000015B73914250, 16 bytes long.
Data: < X s[ > 20 58 91 73 5B 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000015B73915820, 992 bytes long.
Data: <PB s[ 0 s[ > 50 42 91 73 5B 01 00 00 30 BF 90 73 5B 01 00 00
{89} normal block at 0x0000015B7390C1D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x0000015B73907A80, 16 bytes long.
Data: < s[ > 90 DE 90 73 5B 01 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x0000015B7390DE90, 40 bytes long.
Data: < z s[ s[ > 80 7A 90 73 5B 01 00 00 D0 C1 90 73 5B 01 00 00
{66} normal block at 0x0000015B739078F0, 16 bytes long.
Data: < : > 80 EA B1 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000015B73907440, 16 bytes long.
Data: <@ : > 40 E9 B1 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000015B73906D10, 16 bytes long.
Data: < W : > F8 57 AE 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000015B73906D60, 16 bytes long.
Data: < W : > D8 57 AE 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000015B739077B0, 16 bytes long.
Data: <P : > 50 04 AE 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000015B739079E0, 16 bytes long.
Data: <0 : > 30 04 AE 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000015B73907530, 16 bytes long.
Data: < : > E0 02 AE 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000015B73906EF0, 16 bytes long.
Data: < : > 10 04 AE 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000015B739074E0, 16 bytes long.
Data: <p : > 70 04 AE 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000015B73907120, 16 bytes long.
Data: < : > 18 C0 AC 3A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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