Task 38670638
| Name | test_203-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND4376_0 |
| Workunit | 31612873 |
| Created | 25 Oct 2026, 18:08:42 UTC |
| Sent | 25 Oct 2026, 18:08:49 UTC |
| Report deadline | 30 Oct 2026, 18:08:49 UTC |
| Received | 25 Oct 2026, 19:45:42 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 627263 |
| Run time | 47 min 20 sec |
| CPU time | 33 min 5 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 34,102.83 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 4.19 GB |
| Peak swap size | 6.99 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:25:15 (47380): wrapper (7.9.26016): starting
14:25:15 (47380): 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
14:25:19 (47380): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:25:19 (47380): 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 'D:\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 'D:\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835117} normal block at 0x0000029908CCE2C0, 8 bytes long.
Data: < > 00 00 0D 09 99 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x0000029908DAE550, 1080 bytes long.
Data: < , > A0 BB 00 00 CD CD CD CD 2C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000029908CD1C40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
14:29:03 (2776): wrapper (7.9.26016): starting
14:29:03 (2776): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x000002252E376C10, 8 bytes long.
Data: < 2.% > 00 00 32 2E 25 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000002252E377180, 1080 bytes long.
Data: < D > 10 DA 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
14:34:05 (56664): wrapper (7.9.26016): starting
14:34:05 (56664): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x0000020DF52A6A20, 8 bytes long.
Data: < x > 00 00 78 F5 0D 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000020DF52A7170, 1080 bytes long.
Data: < P > 8C C7 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
14:40:02 (48496): wrapper (7.9.26016): starting
14:40:02 (48496): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x000002829BBF9290, 8 bytes long.
Data: < > 00 00 BC 9B 82 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000002829BBF9A30, 1080 bytes long.
Data: <L T > 4C AB 00 00 CD CD CD CD 54 01 00 00 00 00 00 00
Object dump complete.
14:45:03 (52700): wrapper (7.9.26016): starting
14:45:03 (52700): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x00000142C1BB73E0, 8 bytes long.
Data: < B > 00 00 0D C2 42 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x00000142C1BB7CC0, 1080 bytes long.
Data: < H > B0 CF 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
15:28:49 (57860): wrapper (7.9.26016): starting
15:28:49 (57860): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x0000014D63476CF0, 8 bytes long.
Data: < cM > 00 00 83 63 4D 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000014D63477170, 1080 bytes long.
Data: < P D > 94 50 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
15:33:51 (57964): wrapper (7.9.26016): starting
15:33:51 (57964): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\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
15:45:03 (57964): C:/Windows/system32/cmd.exe exited; CPU time 467.609375
15:45:03 (57964): 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: 17183858 bytes.
Dumping objects ->
{1551} normal block at 0x00000176C6C057E0, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1540} normal block at 0x00000176C6C052A0, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1529} normal block at 0x00000176C6C05460, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{1518} normal block at 0x00000176C6C051C0, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1507} normal block at 0x00000176C6C05770, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{1476} normal block at 0x00000176C6BEF810, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {1463} normal block at 0x00000176C6C06D90, 8 bytes long.
Data: < % v > 00 00 25 C7 76 01 00 00
{305} normal block at 0x00000176C6C06FC0, 8 bytes long.
Data: < p v > D0 70 C0 C6 76 01 00 00
{296} normal block at 0x00000176C6BF6470, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x00000176C6C06840, 16 bytes long.
Data: < _ v > C8 5F C0 C6 76 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000176C6C06C00, 16 bytes long.
Data: < _ v > A0 5F C0 C6 76 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000176C6C004F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x00000176C6C067F0, 16 bytes long.
Data: <x_ v > 78 5F C0 C6 76 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000176C6C06AC0, 16 bytes long.
Data: <P_ v > 50 5F C0 C6 76 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000176C6C06A70, 16 bytes long.
Data: <(_ v > 28 5F C0 C6 76 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000176C6C07060, 16 bytes long.
Data: < _ v > 00 5F C0 C6 76 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000176C6C05690, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x00000176C6C07010, 16 bytes long.
Data: <8 v > 38 95 BF C6 76 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000176C6BFFA70, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x00000176C6C06110, 16 bytes long.
Data: < v > 10 95 BF C6 76 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000176C6C06C50, 16 bytes long.
Data: < v > E8 94 BF C6 76 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000176C6C06B10, 16 bytes long.
Data: < v > C0 94 BF C6 76 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000176C6C062F0, 16 bytes long.
Data: < v > 98 94 BF C6 76 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000176C6C067A0, 16 bytes long.
Data: <p v > 70 94 BF C6 76 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000176C6C06430, 16 bytes long.
Data: <H v > 48 94 BF C6 76 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000176C6BFFCB0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x00000176C6C061B0, 16 bytes long.
Data: < v > 20 94 BF C6 76 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000176C6BF9420, 320 bytes long.
Data: < a v v > B0 61 C0 C6 76 01 00 00 B0 FC BF C6 76 01 00 00
{275} normal block at 0x00000176C6C06750, 16 bytes long.
Data: < ^ v > E0 5E C0 C6 76 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000176C6C06980, 16 bytes long.
Data: < ^ v > B8 5E C0 C6 76 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000176C6BFFE90, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x00000176C6C066B0, 16 bytes long.
Data: < ^ v > 90 5E C0 C6 76 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000176C6BFFB30, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x00000176C6C068E0, 16 bytes long.
Data: < ] v > D8 5D C0 C6 76 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000176C6C06890, 16 bytes long.
Data: < ] v > B0 5D C0 C6 76 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000176C6C06700, 16 bytes long.
Data: < ] v > 88 5D C0 C6 76 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000176C6C06F70, 16 bytes long.
Data: <`] v > 60 5D C0 C6 76 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000176C6C06D40, 16 bytes long.
Data: <8] v > 38 5D C0 C6 76 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000176C6BFD870, 16 bytes long.
Data: < ] v > 10 5D C0 C6 76 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000176C6BFE3B0, 16 bytes long.
Data: < W v > 00 57 C0 C6 76 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000176C6C05700, 40 bytes long.
Data: < v v > B0 E3 BF C6 76 01 00 00 10 F8 BE C6 76 01 00 00
{261} normal block at 0x00000176C6BFD6E0, 16 bytes long.
Data: < \ v > F0 5C C0 C6 76 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000176C6BFDF50, 16 bytes long.
Data: < \ v > C8 5C C0 C6 76 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000176C6BFFA10, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x00000176C6BFD820, 16 bytes long.
Data: < \ v > A0 5C C0 C6 76 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000176C6C05CA0, 992 bytes long.
Data: < v v > 20 D8 BF C6 76 01 00 00 10 FA BF C6 76 01 00 00
{93} normal block at 0x00000176C6BFF9B0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x00000176C6BFD7D0, 16 bytes long.
Data: < S v > F0 53 C0 C6 76 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x00000176C6C053F0, 40 bytes long.
Data: < v v > D0 D7 BF C6 76 01 00 00 B0 F9 BF C6 76 01 00 00
{70} normal block at 0x00000176C6BFDFF0, 16 bytes long.
Data: < * > 80 EA 2A E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000176C6BFDBE0, 16 bytes long.
Data: <@ * > 40 E9 2A E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000176C6BFDF00, 16 bytes long.
Data: < W' > F8 57 27 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000176C6BFE4F0, 16 bytes long.
Data: < W' > D8 57 27 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000176C6BFD780, 16 bytes long.
Data: <P ' > 50 04 27 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000176C6BFE540, 16 bytes long.
Data: <0 ' > 30 04 27 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000176C6BFE450, 16 bytes long.
Data: < ' > E0 02 27 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000176C6BFDEB0, 16 bytes long.
Data: < ' > 10 04 27 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000176C6BFE220, 16 bytes long.
Data: <p ' > 70 04 27 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000176C6BFDDC0, 16 bytes long.
Data: < % > 18 C0 25 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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