Task 38670617
| Name | test_85-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND8694_1 |
| Workunit | 31612809 |
| Created | 25 Oct 2026, 18:04:46 UTC |
| Sent | 25 Oct 2026, 18:04:58 UTC |
| Report deadline | 30 Oct 2026, 18:04:58 UTC |
| Received | 27 Oct 2026, 17:54:13 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 590858 |
| Run time | 24 min 20 sec |
| CPU time | 22 min 17 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,266.02 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 691.66 MB |
| Peak swap size | 3.97 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>7.16.20</core_client_version>
<![CDATA[
<stderr_txt>
19:06:12 (14312): wrapper (7.9.26016): starting
19:06:12 (14312): 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
19:06:13 (14312): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:06:13 (14312): 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\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 'C:\ProgramData\BOINC\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) : {3835415} normal block at 0x0000021A6A7DE770, 8 bytes long.
Data: < tj > 00 00 74 6A 1A 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833962} normal block at 0x0000021A6C2CEA90, 1080 bytes long.
Data: < ` > F8 60 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000021A6A7E24E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
18:33:14 (11748): wrapper (7.9.26016): starting
18:33:14 (11748): 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\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
18:52:58 (11748): C:/Windows/system32/cmd.exe exited; CPU time 1161.015625
18:52:58 (11748): 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: 21363572 bytes.
Dumping objects ->
{3850186} normal block at 0x000002EDC90A7540, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3850175} normal block at 0x000002EDC90A7850, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3850164} normal block at 0x000002EDC90A7A80, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3850153} normal block at 0x000002EDC90A7D20, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3850142} normal block at 0x000002EDC7357C30, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3850111} normal block at 0x000002EDC9017660, 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) : {3850098} normal block at 0x000002EDC734DAF0, 8 bytes long.
Data: < Çí > 00 00 7F C7 ED 02 00 00
{3848646} normal block at 0x000002EDC734E130, 8 bytes long.
Data: <ào5Çí > E0 6F 35 C7 ED 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002EDC7351EA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002EDC7346A30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000002EDC7358470, 16 bytes long.
Data: <( 5Çí > 28 90 35 C7 ED 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002EDC7358BF0, 16 bytes long.
Data: < 5Çí > 00 90 35 C7 ED 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002EDC7350430, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000002EDC7357E80, 16 bytes long.
Data: <Ø 5Çí > D8 8F 35 C7 ED 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002EDC7358100, 16 bytes long.
Data: <° 5Çí > B0 8F 35 C7 ED 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002EDC73580B0, 16 bytes long.
Data: < 5Çí > 88 8F 35 C7 ED 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002EDC7358650, 16 bytes long.
Data: <` 5Çí > 60 8F 35 C7 ED 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002EDC7357920, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000002EDC73581F0, 16 bytes long.
Data: <X 4Çí > 58 98 34 C7 ED 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002EDC734FF50, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000002EDC7358510, 16 bytes long.
Data: <0 4Çí > 30 98 34 C7 ED 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002EDC7358060, 16 bytes long.
Data: < 4Çí > 08 98 34 C7 ED 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002EDC7358830, 16 bytes long.
Data: <à—4Çí > E0 97 34 C7 ED 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002EDC7358240, 16 bytes long.
Data: <¸—4Çí > B8 97 34 C7 ED 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002EDC7358560, 16 bytes long.
Data: < —4Çí > 90 97 34 C7 ED 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002EDC7358330, 16 bytes long.
Data: <h—4Çí > 68 97 34 C7 ED 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002EDC734FC50, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000002EDC7358BA0, 16 bytes long.
Data: <@—4Çí > 40 97 34 C7 ED 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002EDC7349740, 320 bytes long.
Data: < ‹5Çí Pü4Çí > A0 8B 35 C7 ED 02 00 00 50 FC 34 C7 ED 02 00 00
{277} normal block at 0x000002EDC73582E0, 16 bytes long.
Data: <@ 5Çí > 40 8F 35 C7 ED 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002EDC7358790, 16 bytes long.
Data: < 5Çí > 18 8F 35 C7 ED 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002EDC734FEF0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000002EDC7358920, 16 bytes long.
Data: <ðŽ5Çí > F0 8E 35 C7 ED 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002EDC7350130, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000002EDC73587E0, 16 bytes long.
Data: <8Ž5Çí > 38 8E 35 C7 ED 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002EDC7358B50, 16 bytes long.
Data: < Ž5Çí > 10 8E 35 C7 ED 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002EDC7357F70, 16 bytes long.
Data: <è 5Çí > E8 8D 35 C7 ED 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002EDC73583D0, 16 bytes long.
Data: <À 5Çí > C0 8D 35 C7 ED 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002EDC7358B00, 16 bytes long.
Data: < 5Çí > 98 8D 35 C7 ED 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002EDC7358740, 16 bytes long.
Data: <p 5Çí > 70 8D 35 C7 ED 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002EDC7357D40, 16 bytes long.
Data: <0u5Çí > 30 75 35 C7 ED 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002EDC7357530, 40 bytes long.
Data: <@}5Çí `v Éí > 40 7D 35 C7 ED 02 00 00 60 76 01 C9 ED 02 00 00
{263} normal block at 0x000002EDC7358290, 16 bytes long.
Data: <P 5Çí > 50 8D 35 C7 ED 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002EDC7358AB0, 16 bytes long.
Data: <( 5Çí > 28 8D 35 C7 ED 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002EDC734F950, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000002EDC7358380, 16 bytes long.
Data: < 5Çí > 00 8D 35 C7 ED 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002EDC7358D00, 992 bytes long.
Data: < ƒ5Çí Pù4Çí > 80 83 35 C7 ED 02 00 00 50 F9 34 C7 ED 02 00 00
{95} normal block at 0x000002EDC7350610, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000002EDC734E770, 16 bytes long.
Data: < u5Çí > A0 75 35 C7 ED 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000002EDC73575A0, 40 bytes long.
Data: <pç4Çí 5Çí > 70 E7 34 C7 ED 02 00 00 10 06 35 C7 ED 02 00 00
{72} normal block at 0x000002EDC734E7C0, 16 bytes long.
Data: < ê”rö > 80 EA 94 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002EDC734DBE0, 16 bytes long.
Data: <@é”rö > 40 E9 94 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002EDC734E360, 16 bytes long.
Data: <øW‘rö > F8 57 91 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002EDC734DFA0, 16 bytes long.
Data: <ØW‘rö > D8 57 91 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002EDC734DD20, 16 bytes long.
Data: <P ‘rö > 50 04 91 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002EDC734DDC0, 16 bytes long.
Data: <0 ‘rö > 30 04 91 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002EDC734E5E0, 16 bytes long.
Data: <à ‘rö > E0 02 91 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002EDC734E400, 16 bytes long.
Data: < ‘rö > 10 04 91 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002EDC734DAA0, 16 bytes long.
Data: <p ‘rö > 70 04 91 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002EDC734DE10, 16 bytes long.
Data: < À rö > 18 C0 8F 72 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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