Task 38665799
| Name | test_781-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND4918_0 |
| Workunit | 31608852 |
| Created | 25 Oct 2026, 1:34:53 UTC |
| Sent | 25 Oct 2026, 2:18:59 UTC |
| Report deadline | 30 Oct 2026, 2:18:59 UTC |
| Received | 25 Oct 2026, 8:50:32 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652004 |
| Run time | 3 hours 57 min 35 sec |
| CPU time | 3 hours 57 min 15 sec |
| Validate state | Valid |
| Credit | 600,000.00 |
| Device peak FLOPS | 48,740.91 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 736.06 MB |
| Peak swap size | 13.02 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:21:08 (22288): wrapper (7.9.26016): starting
20:21:08 (22288): 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
20:21:09 (22288): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:21:09 (22288): 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) : {3835169} normal block at 0x0000027BD50CEDC0, 8 bytes long.
Data: < { > 00 00 0A D5 7B 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833954} normal block at 0x0000027BD6ED3470, 1080 bytes long.
Data: <4% \ > 34 25 00 00 CD CD CD CD 5C 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000027BD50D06B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
21:49:00 (28532): wrapper (7.9.26016): starting
21:49:00 (28532): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1517} normal block at 0x00000224154F5E80, 8 bytes long.
Data: < $ > 00 00 A0 15 24 02 00 00
..\lib\diagnostics_win.cpp(417) : {302} normal block at 0x00000224154F6710, 1080 bytes long.
Data: < k D > 18 6B 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
23:56:26 (28612): wrapper (7.9.26016): starting
23:56:26 (28612): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1517} normal block at 0x0000020868F75890, 8 bytes long.
Data: < \i > 00 00 5C 69 08 02 00 00
..\lib\diagnostics_win.cpp(417) : {302} normal block at 0x0000020868F76490, 1080 bytes long.
Data: < ! D > 0C 21 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
01:54:21 (23176): wrapper (7.9.26016): starting
01:54:21 (23176): 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\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
02:49:53 (23176): C:/Windows/system32/cmd.exe exited; CPU time 3320.500000
02:49:53 (23176): 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: 19480864 bytes.
Dumping objects ->
{1605} normal block at 0x00000260B19D4BA0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1594} normal block at 0x00000260B19D4900, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1583} normal block at 0x00000260B19D4740, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1572} normal block at 0x00000260B19D4580, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1561} normal block at 0x00000260B19D4970, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1530} normal block at 0x00000260B19BEED0, 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) : {1517} normal block at 0x00000260B19D63E0, 8 bytes long.
Data: < ` > 00 00 F3 B1 60 02 00 00
{303} normal block at 0x00000260B19D6160, 8 bytes long.
Data: < g ` > 20 67 9D B1 60 02 00 00
{294} normal block at 0x00000260B19C5E00, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x00000260B19D60C0, 16 bytes long.
Data: < V ` > 18 56 9D B1 60 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000260B19D6390, 16 bytes long.
Data: < U ` > F0 55 9D B1 60 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000260B19CF630, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x00000260B19D5940, 16 bytes long.
Data: < U ` > C8 55 9D B1 60 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000260B19D6110, 16 bytes long.
Data: < U ` > A0 55 9D B1 60 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000260B19D5760, 16 bytes long.
Data: <xU ` > 78 55 9D B1 60 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000260B19D64D0, 16 bytes long.
Data: <PU ` > 50 55 9D B1 60 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000260B19D4890, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x00000260B19D5CB0, 16 bytes long.
Data: <X ` > 58 8F 9C B1 60 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000260B19CFA50, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x00000260B19D6570, 16 bytes long.
Data: <0 ` > 30 8F 9C B1 60 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000260B19D5B20, 16 bytes long.
Data: < ` > 08 8F 9C B1 60 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000260B19D6340, 16 bytes long.
Data: < ` > E0 8E 9C B1 60 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000260B19D58A0, 16 bytes long.
Data: < ` > B8 8E 9C B1 60 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000260B19D5F30, 16 bytes long.
Data: < ` > 90 8E 9C B1 60 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000260B19D61B0, 16 bytes long.
Data: <h ` > 68 8E 9C B1 60 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000260B19CF690, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x00000260B19D62F0, 16 bytes long.
Data: <@ ` > 40 8E 9C B1 60 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000260B19C8E40, 320 bytes long.
Data: < b ` ` > F0 62 9D B1 60 02 00 00 90 F6 9C B1 60 02 00 00
{273} normal block at 0x00000260B19D5850, 16 bytes long.
Data: <0U ` > 30 55 9D B1 60 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000260B19D5800, 16 bytes long.
Data: < U ` > 08 55 9D B1 60 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000260B19D0290, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x00000260B19D58F0, 16 bytes long.
Data: < T ` > E0 54 9D B1 60 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000260B19D0410, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x00000260B19D5D00, 16 bytes long.
Data: <(T ` > 28 54 9D B1 60 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000260B19D5B70, 16 bytes long.
Data: < T ` > 00 54 9D B1 60 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000260B19D6480, 16 bytes long.
Data: < S ` > D8 53 9D B1 60 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000260B19D6430, 16 bytes long.
Data: < S ` > B0 53 9D B1 60 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000260B19D5E90, 16 bytes long.
Data: < S ` > 88 53 9D B1 60 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000260B19CEE20, 16 bytes long.
Data: <`S ` > 60 53 9D B1 60 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000260B19CED30, 16 bytes long.
Data: <`F ` > 60 46 9D B1 60 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000260B19D4660, 40 bytes long.
Data: <0 ` ` > 30 ED 9C B1 60 02 00 00 D0 EE 9B B1 60 02 00 00
{259} normal block at 0x00000260B19CEB50, 16 bytes long.
Data: <@S ` > 40 53 9D B1 60 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000260B19CF410, 16 bytes long.
Data: < S ` > 18 53 9D B1 60 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000260B19D0470, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x00000260B19CF320, 16 bytes long.
Data: < R ` > F0 52 9D B1 60 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000260B19D52F0, 992 bytes long.
Data: < ` p ` > 20 F3 9C B1 60 02 00 00 70 04 9D B1 60 02 00 00
{91} normal block at 0x00000260B19CFCF0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x00000260B19CE6A0, 16 bytes long.
Data: <` ` > 60 EE 9B B1 60 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x00000260B19BEE60, 40 bytes long.
Data: < ` ` > A0 E6 9C B1 60 02 00 00 F0 FC 9C B1 60 02 00 00
{68} normal block at 0x00000260B19CE7E0, 16 bytes long.
Data: < > 80 EA 02 85 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000260B19CE6F0, 16 bytes long.
Data: <@ > 40 E9 02 85 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000260B19CEBA0, 16 bytes long.
Data: < W > F8 57 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000260B19CF0F0, 16 bytes long.
Data: < W > D8 57 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000260B19CE790, 16 bytes long.
Data: <P > 50 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000260B19CF3C0, 16 bytes long.
Data: <0 > 30 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000260B19CE650, 16 bytes long.
Data: < > E0 02 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000260B19CE600, 16 bytes long.
Data: < > 10 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000260B19CE740, 16 bytes long.
Data: <p > 70 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000260B19CF1E0, 16 bytes long.
Data: < > 18 C0 FD 84 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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