Task 38659948
| Name | test_942-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND2842_0 |
| Workunit | 31603480 |
| Created | 24 Oct 2026, 13:41:22 UTC |
| Sent | 24 Oct 2026, 13:43:29 UTC |
| Report deadline | 29 Oct 2026, 13:43:29 UTC |
| Received | 2 Nov 2026, 17:07:36 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 627530 |
| Run time | 20 min 23 sec |
| CPU time | 12 min 33 sec |
| Validate state | Task was reported too late to validate |
| Credit | 0.00 |
| Device peak FLOPS | 48,740.91 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 706.46 MB |
| Peak swap size | 13.01 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
14:15:48 (6780): wrapper (7.9.26016): starting
14:15:48 (6780): 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
14:15:49 (6780): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:15:49 (6780): 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\31\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\31\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) : {3835187} normal block at 0x00000250F843A7C0, 8 bytes long.
Data: < = P > 00 00 3D F8 50 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833950} normal block at 0x00000250F8431780, 1080 bytes long.
Data: < D > D0 44 00 00 CD CD CD CD 08 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000250F84340B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
14:47:08 (19820): wrapper (7.9.26016): starting
14:47:08 (19820): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\31\tmp existe d‚j….
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849870} normal block at 0x0000018F8734C090, 8 bytes long.
Data: < > 00 00 DB 88 8F 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848633} normal block at 0x0000018F89138080, 1080 bytes long.
Data: < _ $ > 08 5F 00 00 CD CD CD CD 24 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000018F8733F330, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
10:57:43 (34524): wrapper (7.9.26016): starting
10:57:43 (34524): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\31\tmp existe d‚j….
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849866} normal block at 0x000001BD2738AB00, 8 bytes long.
Data: < ( > 00 00 D4 28 BD 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848629} normal block at 0x000001BD2737C170, 1080 bytes long.
Data: <p > 70 1C 00 00 CD CD CD CD C4 00 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001BD2737EB00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
12:56:22 (19988): wrapper (7.9.26016): starting
12:56:22 (19988): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\31\tmp existe d‚j….
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849866} normal block at 0x0000016FE4C0AFB0, 8 bytes long.
Data: < o > 00 00 BE E4 6F 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848629} normal block at 0x0000016FE4BFC170, 1080 bytes long.
Data: <lB P > 6C 42 00 00 CD CD CD CD 50 00 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000016FE4BFEC70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
08:45:50 (33320): wrapper (7.9.26016): starting
08:45:50 (33320): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\31\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849870} normal block at 0x0000024D1E39B840, 8 bytes long.
Data: < M > 00 00 13 20 4D 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848633} normal block at 0x0000024D1E38C220, 1080 bytes long.
Data: <\5 > 5C 35 00 00 CD CD CD CD 14 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000024D1E38FDB0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
11:47:32 (18984): wrapper (7.9.26016): starting
11:47:32 (18984): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\31\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849870} normal block at 0x00000198CCF0B2C0, 8 bytes long.
Data: < > 00 00 D1 CE 98 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848633} normal block at 0x00000198CEC5C610, 1080 bytes long.
Data: <To > 54 6F 00 00 CD CD CD CD CC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000198CCF00020, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:16:25 (33684): wrapper (7.9.26016): starting
15:16:25 (33684): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\31\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849870} normal block at 0x0000019AF323BDE0, 8 bytes long.
Data: < ! > 00 00 21 F3 9A 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848633} normal block at 0x0000019AF322C220, 1080 bytes long.
Data: <\q > 5C 71 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000019AF322FB40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:31:57 (15188): wrapper (7.9.26016): starting
17:31:57 (15188): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\31\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849870} normal block at 0x000002761A89B390, 8 bytes long.
Data: < v > 00 00 86 1A 76 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848633} normal block at 0x000002761A88C220, 1080 bytes long.
Data: <@J > 40 4A 00 00 CD CD CD CD D0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000002761A88EE30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
12:03:49 (16608): wrapper (7.9.26016): starting
12:03:49 (16608): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\31\tmp existe d‚j….
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
12:06:40 (16608): C:/Windows/system32/cmd.exe exited; CPU time 103.406250
12:06:40 (16608): 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: 3128157 bytes.
Dumping objects ->
{3849954} normal block at 0x000001FBB130CC30, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849943} normal block at 0x000001FBB130D1E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849932} normal block at 0x000001FBB130D170, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3849921} normal block at 0x000001FBAF781220, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849910} normal block at 0x000001FBAF780FF0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3849879} normal block at 0x000001FBB1354D90, 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) : {3849866} normal block at 0x000001FBAF77AF40, 8 bytes long.
Data: < ±û > 00 00 11 B1 FB 01 00 00
{3848630} normal block at 0x000001FBAF77B210, 8 bytes long.
Data: <Ð!;±û > D0 21 3B B1 FB 01 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001FBAF76EE70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FBAF76D100, 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 0x000001FBAF782F90, 16 bytes long.
Data: <h9x¯û > 68 39 78 AF FB 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001FBAF783120, 16 bytes long.
Data: <@9x¯û > 40 39 78 AF FB 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FBAF77DCB0, 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 0x000001FBAF782EA0, 16 bytes long.
Data: < 9x¯û > 18 39 78 AF FB 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001FBAF782CC0, 16 bytes long.
Data: <ð8x¯û > F0 38 78 AF FB 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001FBAF783170, 16 bytes long.
Data: <È8x¯û > C8 38 78 AF FB 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FBAF7830D0, 16 bytes long.
Data: < 8x¯û > A0 38 78 AF FB 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FBAF781290, 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 0x000001FBAF782E50, 16 bytes long.
Data: <ÈÕv¯û > C8 D5 76 AF FB 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FBAF77D8F0, 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 0x000001FBAF783260, 16 bytes long.
Data: < Õv¯û > A0 D5 76 AF FB 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001FBAF783080, 16 bytes long.
Data: <xÕv¯û > 78 D5 76 AF FB 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001FBAF7834E0, 16 bytes long.
Data: <PÕv¯û > 50 D5 76 AF FB 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FBAF783440, 16 bytes long.
Data: <(Õv¯û > 28 D5 76 AF FB 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001FBAF782DB0, 16 bytes long.
Data: < Õv¯û > 00 D5 76 AF FB 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001FBAF782B80, 16 bytes long.
Data: <ØÔv¯û > D8 D4 76 AF FB 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FBAF77DDD0, 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 0x000001FBAF7833F0, 16 bytes long.
Data: <°Ôv¯û > B0 D4 76 AF FB 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FBAF76D4B0, 320 bytes long.
Data: <ð3x¯û ÐÝw¯û > F0 33 78 AF FB 01 00 00 D0 DD 77 AF FB 01 00 00
{269} normal block at 0x000001FBAF7833A0, 16 bytes long.
Data: < 8x¯û > 80 38 78 AF FB 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001FBAF7827C0, 16 bytes long.
Data: <X8x¯û > 58 38 78 AF FB 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FBAF77DD70, 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 0x000001FBAF782D10, 16 bytes long.
Data: <08x¯û > 30 38 78 AF FB 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001FBAF77DA70, 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 0x000001FBAF782FE0, 16 bytes long.
Data: <x7x¯û > 78 37 78 AF FB 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001FBAF782770, 16 bytes long.
Data: <P7x¯û > 50 37 78 AF FB 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001FBAF782AE0, 16 bytes long.
Data: <(7x¯û > 28 37 78 AF FB 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001FBAF782950, 16 bytes long.
Data: < 7x¯û > 00 37 78 AF FB 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001FBAF782B30, 16 bytes long.
Data: <Ø6x¯û > D8 36 78 AF FB 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001FBAF783030, 16 bytes long.
Data: <°6x¯û > B0 36 78 AF FB 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001FBAF782A90, 16 bytes long.
Data: <p x¯û > 70 0C 78 AF FB 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001FBAF780C70, 40 bytes long.
Data: < *x¯û M5±û > 90 2A 78 AF FB 01 00 00 90 4D 35 B1 FB 01 00 00
{255} normal block at 0x000001FBAF782A40, 16 bytes long.
Data: < 6x¯û > 90 36 78 AF FB 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001FBAF7826D0, 16 bytes long.
Data: <h6x¯û > 68 36 78 AF FB 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001FBAF77E0D0, 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 0x000001FBAF782680, 16 bytes long.
Data: <@6x¯û > 40 36 78 AF FB 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000001FBAF783640, 992 bytes long.
Data: < &x¯û Ðàw¯û > 80 26 78 AF FB 01 00 00 D0 E0 77 AF FB 01 00 00
{87} normal block at 0x000001FBAF77E610, 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 0x000001FBAF77AEF0, 16 bytes long.
Data: <Ð x¯û > D0 10 78 AF FB 01 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x000001FBAF7810D0, 40 bytes long.
Data: <ð®w¯û æw¯û > F0 AE 77 AF FB 01 00 00 10 E6 77 AF FB 01 00 00
{64} normal block at 0x000001FBAF77B1C0, 16 bytes long.
Data: < ê ÷ > 80 EA 16 10 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001FBAF77AE50, 16 bytes long.
Data: <@é ÷ > 40 E9 16 10 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001FBAF77B530, 16 bytes long.
Data: <øW ÷ > F8 57 13 10 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001FBAF77AC70, 16 bytes long.
Data: <ØW ÷ > D8 57 13 10 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001FBAF77A9A0, 16 bytes long.
Data: <P ÷ > 50 04 13 10 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001FBAF77ADB0, 16 bytes long.
Data: <0 ÷ > 30 04 13 10 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001FBAF77ACC0, 16 bytes long.
Data: <à ÷ > E0 02 13 10 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001FBAF77B4E0, 16 bytes long.
Data: < ÷ > 10 04 13 10 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001FBAF77B120, 16 bytes long.
Data: <p ÷ > 70 04 13 10 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001FBAF77AA40, 16 bytes long.
Data: < À ÷ > 18 C0 11 10 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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