Task 38688040
| Name | test_763-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND2731_0 |
| Workunit | 31629409 |
| Created | 28 Oct 2026, 11:14:43 UTC |
| Sent | 28 Oct 2026, 11:14:49 UTC |
| Report deadline | 2 Nov 2026, 11:14:49 UTC |
| Received | 28 Oct 2026, 12:35:32 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 539539 |
| Run time | 1 hours 4 min 47 sec |
| CPU time | 1 hours 2 min 51 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 4,056.34 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 656.44 MB |
| Peak swap size | 5.23 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:22:55 (21472): wrapper (7.9.26016): starting
12:22:55 (21472): 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
12:22:56 (21472): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:22:56 (21472): 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\10\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\10\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) : {3835183} normal block at 0x0000020BE8617910, 8 bytes long.
Data: < ] > 00 00 5D E8 0B 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833944} normal block at 0x0000020BEA188780, 1080 bytes long.
Data: <x@ > 78 40 00 00 CD CD CD CD B8 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000020BE8620830, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
12:27:50 (4672): wrapper (7.9.26016): starting
12:27:50 (4672): 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\10\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1536} normal block at 0x000001951BEE2E60, 8 bytes long.
Data: < > 00 00 EA 1B 95 01 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x000001951BEE38D0, 1080 bytes long.
Data: <P H > 50 16 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
12:45:49 (15736): wrapper (7.9.26016): starting
12:45:49 (15736): 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\10\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
13:35:16 (15736): C:/Windows/system32/cmd.exe exited; CPU time 2927.453125
13:35:16 (15736): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 bytes in 8 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: 50044684 bytes.
Dumping objects ->
{1625} normal block at 0x0000029529551F00, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1614} normal block at 0x0000029529551C60, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1603} normal block at 0x0000029529551A30, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1592} normal block at 0x0000029529551D40, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1581} normal block at 0x00000295295519C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1550} normal block at 0x000002952954D290, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1539} normal block at 0x000002952954D1F0, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {1536} normal block at 0x0000029529552530, 8 bytes long.
Data: < R) > 00 00 52 29 95 02 00 00
{908} normal block at 0x000002952953B170, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{298} normal block at 0x0000029529552940, 8 bytes long.
Data: <`8U) > 60 38 55 29 95 02 00 00
{289} normal block at 0x0000029529535F00, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x00000295295520D0, 16 bytes long.
Data: <h7U) > 68 37 55 29 95 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000029529552620, 16 bytes long.
Data: <@7U) > 40 37 55 29 95 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002952954E130, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x0000029529552C10, 16 bytes long.
Data: < 7U) > 18 37 55 29 95 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000029529552DA0, 16 bytes long.
Data: < 6U) > F0 36 55 29 95 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000295295525D0, 16 bytes long.
Data: < 6U) > C8 36 55 29 95 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000029529552AD0, 16 bytes long.
Data: < 6U) > A0 36 55 29 95 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000029529551E90, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x00000295295526C0, 16 bytes long.
Data: < ^S) > 98 5E 53 29 95 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002952954D9B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x00000295295528F0, 16 bytes long.
Data: <p^S) > 70 5E 53 29 95 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000295295528A0, 16 bytes long.
Data: <H^S) > 48 5E 53 29 95 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000295295527B0, 16 bytes long.
Data: < ^S) > 20 5E 53 29 95 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000029529552C60, 16 bytes long.
Data: < ]S) > F8 5D 53 29 95 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000029529552A80, 16 bytes long.
Data: < ]S) > D0 5D 53 29 95 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000029529552DF0, 16 bytes long.
Data: < ]S) > A8 5D 53 29 95 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002952954D890, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x0000029529552580, 16 bytes long.
Data: < ]S) > 80 5D 53 29 95 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000029529535D80, 320 bytes long.
Data: < %U) T) > 80 25 55 29 95 02 00 00 90 D8 54 29 95 02 00 00
{268} normal block at 0x0000029529552E90, 16 bytes long.
Data: < 6U) > 80 36 55 29 95 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000295295524E0, 16 bytes long.
Data: <X6U) > 58 36 55 29 95 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002952954D4D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x0000029529552B20, 16 bytes long.
Data: <06U) > 30 36 55 29 95 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002952954DD10, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x0000029529552490, 16 bytes long.
Data: <x5U) > 78 35 55 29 95 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000029529552E40, 16 bytes long.
Data: <P5U) > 50 35 55 29 95 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000029529552210, 16 bytes long.
Data: <(5U) > 28 35 55 29 95 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000029529552A30, 16 bytes long.
Data: < 5U) > 00 35 55 29 95 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000029529552800, 16 bytes long.
Data: < 4U) > D8 34 55 29 95 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000029529552440, 16 bytes long.
Data: < 4U) > B0 34 55 29 95 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000295295523F0, 16 bytes long.
Data: <P U) > 50 19 55 29 95 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000029529551950, 40 bytes long.
Data: < #U) T) > F0 23 55 29 95 02 00 00 90 D2 54 29 95 02 00 00
{254} normal block at 0x00000295295521C0, 16 bytes long.
Data: < 4U) > 90 34 55 29 95 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000029529552BC0, 16 bytes long.
Data: <h4U) > 68 34 55 29 95 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000002952954DFB0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x0000029529552120, 16 bytes long.
Data: <@4U) > 40 34 55 29 95 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x0000029529553440, 992 bytes long.
Data: < !U) T) > 20 21 55 29 95 02 00 00 B0 DF 54 29 95 02 00 00
{86} normal block at 0x000002952954DDD0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x0000029529547DC0, 16 bytes long.
Data: < U) > 10 1B 55 29 95 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x0000029529551B10, 40 bytes long.
Data: < }T) T) > C0 7D 54 29 95 02 00 00 D0 DD 54 29 95 02 00 00
{63} normal block at 0x0000029529547AA0, 16 bytes long.
Data: < % > 80 EA 25 E3 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000295295481D0, 16 bytes long.
Data: <@ % > 40 E9 25 E3 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000029529547D70, 16 bytes long.
Data: < W" > F8 57 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000295295478C0, 16 bytes long.
Data: < W" > D8 57 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000029529547D20, 16 bytes long.
Data: <P " > 50 04 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000029529547A00, 16 bytes long.
Data: <0 " > 30 04 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000029529548130, 16 bytes long.
Data: < " > E0 02 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000295295480E0, 16 bytes long.
Data: < " > 10 04 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000029529547CD0, 16 bytes long.
Data: <p " > 70 04 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x0000029529547910, 16 bytes long.
Data: < > 18 C0 20 E3 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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