Task 38677792
| Name | test_846-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND2577_0 |
| Workunit | 31619648 |
| Created | 26 Oct 2026, 15:25:41 UTC |
| Sent | 26 Oct 2026, 15:25:43 UTC |
| Report deadline | 31 Oct 2026, 15:25:43 UTC |
| Received | 27 Oct 2026, 7:53:50 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653922 |
| Run time | 1 hours 7 min 22 sec |
| CPU time | 1 hours 1 min 20 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,073.70 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 681.16 MB |
| Peak swap size | 2.28 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:35:03 (660): wrapper (7.9.26016): starting
16:35:03 (660): 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
16:35:07 (660): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:35:07 (660): 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:\boinc\data\slots\1\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:\boinc\data\slots\1\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) : {3835326} normal block at 0x000001F4609E5ED0, 8 bytes long.
Data: < Fb > 00 00 46 62 F4 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833944} normal block at 0x000001F46266EA10, 1080 bytes long.
Data: < T > 88 0E 00 00 CD CD CD CD 54 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001F4609ED4B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
08:23:30 (8244): wrapper (7.9.26016): starting
08:23:30 (8244): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\boinc\data\slots\1\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: Exiting with failure status due to previous errors
08:53:18 (8244): C:/Windows/system32/cmd.exe exited; CPU time 1666.828125
08:53:18 (8244): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 18105395 bytes.
Dumping objects ->
{1767} normal block at 0x000001B0417BE6C0, 48 bytes long.
Data: <PATH=D:\boinc\da> 50 41 54 48 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61
{1756} normal block at 0x000001B0417BA1F0, 32 bytes long.
Data: <HOME=D:\boinc\da> 48 4F 4D 45 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61
{1745} normal block at 0x000001B0417BA250, 32 bytes long.
Data: <TMP=D:\boinc\dat> 54 4D 50 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61 74
{1734} normal block at 0x000001B0417BA2B0, 32 bytes long.
Data: <TEMP=D:\boinc\da> 54 45 4D 50 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61
{1723} normal block at 0x000001B0417BA070, 32 bytes long.
Data: <TMPDIR=D:\boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 62 6F 69 6E 63 5C
{1692} normal block at 0x000001B0417BE500, 48 bytes long.
Data: <PATH=D:\boinc\da> 50 41 54 48 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61
..\api\boinc_api.cpp(309) : {1679} normal block at 0x000001B0417BF000, 8 bytes long.
Data: < C > 00 00 07 43 B0 01 00 00
{298} normal block at 0x000001B0417BF370, 8 bytes long.
Data: <0 {A > 30 FF 7B 41 B0 01 00 00
{289} normal block at 0x000001B0417BEA50, 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 0x000001B0417BFA00, 16 bytes long.
Data: <8 {A > 38 FE 7B 41 B0 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001B0417BEF60, 16 bytes long.
Data: < {A > 10 FE 7B 41 B0 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001B0417B9DD0, 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 0x000001B0417BF320, 16 bytes long.
Data: < {A > E8 FD 7B 41 B0 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B0417BF2D0, 16 bytes long.
Data: < {A > C0 FD 7B 41 B0 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001B0417BEC90, 16 bytes long.
Data: < {A > 98 FD 7B 41 B0 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B0417BEB50, 16 bytes long.
Data: <p {A > 70 FD 7B 41 B0 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B0417BE3B0, 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 0x000001B0417BF960, 16 bytes long.
Data: < {A > E8 E9 7B 41 B0 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B0417BA9D0, 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 0x000001B0417BF0A0, 16 bytes long.
Data: < {A > C0 E9 7B 41 B0 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001B0417BF190, 16 bytes long.
Data: < {A > 98 E9 7B 41 B0 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B0417BEF10, 16 bytes long.
Data: <p {A > 70 E9 7B 41 B0 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001B0417BF280, 16 bytes long.
Data: <H {A > 48 E9 7B 41 B0 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B0417BF8C0, 16 bytes long.
Data: < {A > 20 E9 7B 41 B0 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B0417BEFB0, 16 bytes long.
Data: < {A > F8 E8 7B 41 B0 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B0417BA670, 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 0x000001B0417BFA50, 16 bytes long.
Data: < {A > D0 E8 7B 41 B0 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B0417BE8D0, 320 bytes long.
Data: <P {A p {A > 50 FA 7B 41 B0 01 00 00 70 A6 7B 41 B0 01 00 00
{268} normal block at 0x000001B0417BED30, 16 bytes long.
Data: <P {A > 50 FD 7B 41 B0 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B0417BF780, 16 bytes long.
Data: <( {A > 28 FD 7B 41 B0 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B0417BAAF0, 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 0x000001B0417BEE70, 16 bytes long.
Data: < {A > 00 FD 7B 41 B0 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001B0417BA8B0, 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 0x000001B0417BF4B0, 16 bytes long.
Data: <H {A > 48 FC 7B 41 B0 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001B0417BEE20, 16 bytes long.
Data: < {A > 20 FC 7B 41 B0 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001B0417BF5A0, 16 bytes long.
Data: < {A > F8 FB 7B 41 B0 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001B0417BF870, 16 bytes long.
Data: < {A > D0 FB 7B 41 B0 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001B0417BF230, 16 bytes long.
Data: < {A > A8 FB 7B 41 B0 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001B0417BEEC0, 16 bytes long.
Data: < {A > 80 FB 7B 41 B0 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001B0417BEBA0, 16 bytes long.
Data: <P {A > 50 E6 7B 41 B0 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001B0417BE650, 40 bytes long.
Data: < {A {A > A0 EB 7B 41 B0 01 00 00 00 E5 7B 41 B0 01 00 00
{254} normal block at 0x000001B0417BF690, 16 bytes long.
Data: <` {A > 60 FB 7B 41 B0 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001B0417BF9B0, 16 bytes long.
Data: <8 {A > 38 FB 7B 41 B0 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001B0417BA970, 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 0x000001B0417BEC40, 16 bytes long.
Data: < {A > 10 FB 7B 41 B0 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000001B0417BFB10, 992 bytes long.
Data: <@ {A p {A > 40 EC 7B 41 B0 01 00 00 70 A9 7B 41 B0 01 00 00
{86} normal block at 0x000001B0417BABB0, 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 0x000001B0417B6300, 16 bytes long.
Data: <@*zA > 40 2A 7A 41 B0 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000001B0417A2A40, 40 bytes long.
Data: < c{A {A > 00 63 7B 41 B0 01 00 00 B0 AB 7B 41 B0 01 00 00
{63} normal block at 0x000001B0417B5D60, 16 bytes long.
Data: < ^ > 80 EA 0C 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001B0417B5F40, 16 bytes long.
Data: <@ ^ > 40 E9 0C 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001B0417B6210, 16 bytes long.
Data: < W ^ > F8 57 09 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001B0417B5CC0, 16 bytes long.
Data: < W ^ > D8 57 09 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001B0417B5BD0, 16 bytes long.
Data: <P ^ > 50 04 09 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001B0417B6620, 16 bytes long.
Data: <0 ^ > 30 04 09 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001B0417B5F90, 16 bytes long.
Data: < ^ > E0 02 09 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001B0417B5C70, 16 bytes long.
Data: < ^ > 10 04 09 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001B0417B58B0, 16 bytes long.
Data: <p ^ > 70 04 09 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000001B0417B6490, 16 bytes long.
Data: < ^ > 18 C0 07 5E F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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