Task 38671845
| Name | test_295-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND6850_0 |
| Workunit | 31614030 |
| Created | 25 Oct 2026, 21:44:40 UTC |
| Sent | 25 Oct 2026, 21:44:42 UTC |
| Report deadline | 30 Oct 2026, 21:44:42 UTC |
| Received | 25 Oct 2026, 22:41:37 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654838 |
| Run time | 15 min 35 sec |
| CPU time | 15 min 32 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 82,578.99 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 708.77 MB |
| Peak swap size | 13.18 GB |
| Peak disk usage | 3.98 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:15:38 (24668): wrapper (7.9.26016): starting
18:15:38 (24668): 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
18:15:39 (24668): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:15:39 (24668): 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\2\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\2\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835413} normal block at 0x0000019A0C1FE970, 8 bytes long.
Data: < ] > 00 00 5D 0C 9A 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833938} normal block at 0x0000019A0DE5EB70, 1080 bytes long.
Data: < X > C8 CC 00 00 CD CD CD CD 58 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {301} normal block at 0x0000019A0C1FEE90, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
18:19:00 (40116): wrapper (7.9.26016): starting
18:19:00 (40116): 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\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1769} normal block at 0x00000276AC202FE0, 8 bytes long.
Data: < v > 00 00 C8 AD 76 02 00 00
..\lib\diagnostics_win.cpp(417) : {294} normal block at 0x00000276AC203D70, 1080 bytes long.
Data: < n H > D0 6E 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
18:29:29 (52096): wrapper (7.9.26016): starting
18:29:29 (52096): 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\2\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
18:41:09 (52096): C:/Windows/system32/cmd.exe exited; CPU time 701.484375
18:41:09 (52096): 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: 16622226 bytes.
Dumping objects ->
{1857} normal block at 0x000002DA63843770, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1846} normal block at 0x000002DA638432A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1835} normal block at 0x000002DA638431C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1824} normal block at 0x000002DA63843700, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1813} normal block at 0x000002DA63843690, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1782} normal block at 0x000002DA638309E0, 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) : {1769} normal block at 0x000002DA63843EF0, 8 bytes long.
Data: < c > 00 00 80 63 DA 02 00 00
{295} normal block at 0x000002DA63843EA0, 8 bytes long.
Data: < L c > D0 4C 84 63 DA 02 00 00
{286} normal block at 0x000002DA638375F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{285} normal block at 0x000002DA63844BC0, 16 bytes long.
Data: < ; c > C8 3B 84 63 DA 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002DA63844990, 16 bytes long.
Data: < ; c > A0 3B 84 63 DA 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002DA63842490, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{282} normal block at 0x000002DA63844300, 16 bytes long.
Data: <x; c > 78 3B 84 63 DA 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002DA638445D0, 16 bytes long.
Data: <P; c > 50 3B 84 63 DA 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002DA638442B0, 16 bytes long.
Data: <(; c > 28 3B 84 63 DA 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002DA63843E50, 16 bytes long.
Data: < ; c > 00 3B 84 63 DA 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002DA638435B0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{277} normal block at 0x000002DA63844760, 16 bytes long.
Data: <x c > 78 09 83 63 DA 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002DA63842F10, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{275} normal block at 0x000002DA63844AD0, 16 bytes long.
Data: <P c > 50 09 83 63 DA 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002DA63844710, 16 bytes long.
Data: <( c > 28 09 83 63 DA 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002DA63843DB0, 16 bytes long.
Data: < c > 00 09 83 63 DA 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002DA63843D60, 16 bytes long.
Data: < c > D8 08 83 63 DA 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002DA63844080, 16 bytes long.
Data: < c > B0 08 83 63 DA 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002DA638449E0, 16 bytes long.
Data: < c > 88 08 83 63 DA 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002DA63842D30, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{267} normal block at 0x000002DA63843D10, 16 bytes long.
Data: <` c > 60 08 83 63 DA 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002DA63830860, 320 bytes long.
Data: < = c 0- c > 10 3D 84 63 DA 02 00 00 30 2D 84 63 DA 02 00 00
{265} normal block at 0x000002DA63844B70, 16 bytes long.
Data: < : c > E0 3A 84 63 DA 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002DA63844490, 16 bytes long.
Data: < : c > B8 3A 84 63 DA 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002DA638429D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{262} normal block at 0x000002DA63844260, 16 bytes long.
Data: < : c > 90 3A 84 63 DA 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002DA638425B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{260} normal block at 0x000002DA638441C0, 16 bytes long.
Data: < 9 c > D8 39 84 63 DA 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002DA638443F0, 16 bytes long.
Data: < 9 c > B0 39 84 63 DA 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002DA63843E00, 16 bytes long.
Data: < 9 c > 88 39 84 63 DA 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002DA63844C60, 16 bytes long.
Data: <`9 c > 60 39 84 63 DA 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002DA6383E460, 16 bytes long.
Data: <89 c > 38 39 84 63 DA 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002DA6383E3C0, 16 bytes long.
Data: < 9 c > 10 39 84 63 DA 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000002DA6383EA00, 16 bytes long.
Data: < 6 c > 20 36 84 63 DA 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000002DA63843620, 40 bytes long.
Data: < c c > 00 EA 83 63 DA 02 00 00 E0 09 83 63 DA 02 00 00
{251} normal block at 0x000002DA6383E050, 16 bytes long.
Data: < 8 c > F0 38 84 63 DA 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000002DA6383ED20, 16 bytes long.
Data: < 8 c > C8 38 84 63 DA 02 00 00 00 00 00 00 00 00 00 00
{249} normal block at 0x000002DA638427F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{248} normal block at 0x000002DA6383E9B0, 16 bytes long.
Data: < 8 c > A0 38 84 63 DA 02 00 00 00 00 00 00 00 00 00 00
{247} normal block at 0x000002DA638438A0, 992 bytes long.
Data: < c ' c > B0 E9 83 63 DA 02 00 00 F0 27 84 63 DA 02 00 00
{83} normal block at 0x000002DA63842190, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{82} normal block at 0x000002DA6383EC30, 16 bytes long.
Data: <p c > 70 DD 82 63 DA 02 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x000002DA6382DD70, 40 bytes long.
Data: <0 c ! c > 30 EC 83 63 DA 02 00 00 90 21 84 63 DA 02 00 00
{60} normal block at 0x000002DA6383E0F0, 16 bytes long.
Data: < ^S > 80 EA 5E 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002DA6383E6E0, 16 bytes long.
Data: <@ ^S > 40 E9 5E 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002DA6383E4B0, 16 bytes long.
Data: < W[S > F8 57 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002DA6383EC80, 16 bytes long.
Data: < W[S > D8 57 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000002DA6383E500, 16 bytes long.
Data: <P [S > 50 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000002DA6383E0A0, 16 bytes long.
Data: <0 [S > 30 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000002DA6383EDC0, 16 bytes long.
Data: < [S > E0 02 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x000002DA6383EA50, 16 bytes long.
Data: < [S > 10 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{52} normal block at 0x000002DA6383EF00, 16 bytes long.
Data: <p [S > 70 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{51} normal block at 0x000002DA6383E640, 16 bytes long.
Data: < YS > 18 C0 59 53 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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