Task 38699850
| Name | test_515-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND2744_0 |
| Workunit | 31640211 |
| Created | 5 Nov 2026, 19:09:06 UTC |
| Sent | 5 Nov 2026, 19:09:10 UTC |
| Report deadline | 10 Nov 2026, 19:09:10 UTC |
| Received | 6 Nov 2026, 0:19:44 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 655049 |
| Run time | 33 min 12 sec |
| CPU time | 30 min 46 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,956.20 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 693.12 MB |
| Peak swap size | 5.34 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:10:22 (22716): wrapper (7.9.26016): starting
20:10:22 (22716): 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
20:10:23 (22716): Library/usr/bin/tar.exe exited; CPU time 0.015625
20:10:23 (22716): 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) : {3835143} normal block at 0x000002F03B69EBA0, 8 bytes long.
Data: < ; > 00 00 D2 3B F0 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833964} normal block at 0x000002F03B68E6D0, 1080 bytes long.
Data: <l P > 6C AE 00 00 CD CD CD CD 50 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002F03B69FA20, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
20:28:45 (37452): wrapper (7.9.26016): starting
20:28:45 (37452): 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\0\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1486} normal block at 0x000001F29DE97AD0, 8 bytes long.
Data: < > 00 00 E1 9D F2 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001F29DE98960, 1080 bytes long.
Data: < 3 D > FC 33 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
20:56:28 (44000): wrapper (7.9.26016): starting
20:56:28 (44000): 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\0\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1486} normal block at 0x0000022754827680, 8 bytes long.
Data: < T' > 00 00 D7 54 27 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000022754828470, 1080 bytes long.
Data: < ( > 98 A8 00 00 CD CD CD CD 28 01 00 00 00 00 00 00
Object dump complete.
21:50:17 (26392): wrapper (7.9.26016): starting
21:50:17 (26392): 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\0\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1486} normal block at 0x000001ECF04C8050, 8 bytes long.
Data: < > 00 00 8C F0 EC 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001ECF04C8620, 1080 bytes long.
Data: < L > C8 81 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
22:20:08 (37760): wrapper (7.9.26016): starting
22:20:08 (37760): 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\0\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1486} normal block at 0x000001DA756074A0, 8 bytes long.
Data: < u > 00 00 BF 75 DA 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001DA75608470, 1080 bytes long.
Data: < n \ > D0 6E 00 00 CD CD CD CD 5C 01 00 00 00 00 00 00
Object dump complete.
22:32:04 (43440): wrapper (7.9.26016): starting
22:32:04 (43440): 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\0\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1486} normal block at 0x000001D0ED027600, 8 bytes long.
Data: < K > 00 00 4B ED D0 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001D0ED028620, 1080 bytes long.
Data: <d{ L > 64 7B 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
00:53:12 (20932): wrapper (7.9.26016): starting
00:53:12 (20932): 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\0\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1486} normal block at 0x000002CF58027B30, 8 bytes long.
Data: < ]X > 00 00 5D 58 CF 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000002CF58028830, 1080 bytes long.
Data: < 0 > 8C 97 00 00 CD CD CD CD 30 01 00 00 00 00 00 00
Object dump complete.
01:03:57 (41388): wrapper (7.9.26016): starting
01:03:57 (41388): 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\0\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1486} normal block at 0x0000018E2E197AB0, 8 bytes long.
Data: < . > 00 00 13 2E 8E 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000018E2E198620, 1080 bytes long.
Data: <t t > 74 9E 00 00 CD CD CD CD 74 00 00 00 00 00 00 00
Object dump complete.
01:16:53 (23384): wrapper (7.9.26016): starting
01:16:53 (23384): 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\0\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
01:19:26 (23384): C:/Windows/system32/cmd.exe exited; CPU time 124.578125
01:19:26 (23384): 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: 3946206 bytes.
Dumping objects ->
{1574} normal block at 0x00000208092C6700, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1563} normal block at 0x00000208092C6D90, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1552} normal block at 0x00000208092C6CB0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1541} normal block at 0x00000208092C6690, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1530} normal block at 0x00000208092C6A80, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1499} normal block at 0x00000208092C3F00, 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) : {1486} normal block at 0x00000208092C8160, 8 bytes long.
Data: < w > 00 00 77 09 08 02 00 00
{308} normal block at 0x00000208092C8200, 8 bytes long.
Data: <` , > 60 89 2C 09 08 02 00 00
{299} normal block at 0x00000208092B82E0, 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 0x00000208092C7A30, 16 bytes long.
Data: <h , > 68 88 2C 09 08 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000208092C7710, 16 bytes long.
Data: <@ , > 40 88 2C 09 08 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000208092C29E0, 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 0x00000208092C76C0, 16 bytes long.
Data: < , > 18 88 2C 09 08 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000208092C8110, 16 bytes long.
Data: < , > F0 87 2C 09 08 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000208092C7BC0, 16 bytes long.
Data: < , > C8 87 2C 09 08 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000208092C83E0, 16 bytes long.
Data: < , > A0 87 2C 09 08 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000208092C6850, 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 0x00000208092C7990, 16 bytes long.
Data: < * > 88 C4 2A 09 08 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000208092C2B00, 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 0x00000208092C7B70, 16 bytes long.
Data: <` * > 60 C4 2A 09 08 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000208092C8480, 16 bytes long.
Data: <8 * > 38 C4 2A 09 08 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000208092C7760, 16 bytes long.
Data: < * > 10 C4 2A 09 08 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000208092C7670, 16 bytes long.
Data: < * > E8 C3 2A 09 08 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000208092C80C0, 16 bytes long.
Data: < * > C0 C3 2A 09 08 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000208092C7AD0, 16 bytes long.
Data: < * > 98 C3 2A 09 08 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000208092C2CE0, 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 0x00000208092C7CB0, 16 bytes long.
Data: <p * > 70 C3 2A 09 08 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000208092AC370, 320 bytes long.
Data: < |, ,, > B0 7C 2C 09 08 02 00 00 E0 2C 2C 09 08 02 00 00
{278} normal block at 0x00000208092C8390, 16 bytes long.
Data: < , > 80 87 2C 09 08 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000208092C7F80, 16 bytes long.
Data: <X , > 58 87 2C 09 08 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000208092C21A0, 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 0x00000208092C81B0, 16 bytes long.
Data: <0 , > 30 87 2C 09 08 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000208092C20E0, 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 0x00000208092C7580, 16 bytes long.
Data: <x , > 78 86 2C 09 08 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000208092C8020, 16 bytes long.
Data: <P , > 50 86 2C 09 08 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000208092C84D0, 16 bytes long.
Data: <( , > 28 86 2C 09 08 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000208092C7FD0, 16 bytes long.
Data: < , > 00 86 2C 09 08 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000208092C7A80, 16 bytes long.
Data: < , > D8 85 2C 09 08 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000208092C8250, 16 bytes long.
Data: < , > B0 85 2C 09 08 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000208092C7850, 16 bytes long.
Data: <@l, > 40 6C 2C 09 08 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000208092C6C40, 40 bytes long.
Data: <Px, ?, > 50 78 2C 09 08 02 00 00 00 3F 2C 09 08 02 00 00
{264} normal block at 0x00000208092C79E0, 16 bytes long.
Data: < , > 90 85 2C 09 08 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000208092C75D0, 16 bytes long.
Data: <h , > 68 85 2C 09 08 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000208092C2E00, 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 0x00000208092C7620, 16 bytes long.
Data: <@ , > 40 85 2C 09 08 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000208092C8540, 992 bytes long.
Data: < v, ., > 20 76 2C 09 08 02 00 00 00 2E 2C 09 08 02 00 00
{96} normal block at 0x00000208092C26E0, 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 0x00000208092BF140, 16 bytes long.
Data: < j, > F0 6A 2C 09 08 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x00000208092C6AF0, 40 bytes long.
Data: <@ + &, > 40 F1 2B 09 08 02 00 00 E0 26 2C 09 08 02 00 00
{73} normal block at 0x00000208092BF050, 16 bytes long.
Data: < > 80 EA AC DB F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000208092BF0F0, 16 bytes long.
Data: <@ > 40 E9 AC DB F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000208092BF190, 16 bytes long.
Data: < W > F8 57 A9 DB F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000208092BEB00, 16 bytes long.
Data: < W > D8 57 A9 DB F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000208092BEB50, 16 bytes long.
Data: <P > 50 04 A9 DB F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000208092BF5F0, 16 bytes long.
Data: <0 > 30 04 A9 DB F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000208092BEFB0, 16 bytes long.
Data: < > E0 02 A9 DB F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000208092BEF60, 16 bytes long.
Data: < > 10 04 A9 DB F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000208092BF820, 16 bytes long.
Data: <p > 70 04 A9 DB F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000208092BF460, 16 bytes long.
Data: < > 18 C0 A7 DB F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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