Task 38684877
| Name | test_171-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND3116_0 |
| Workunit | 31626376 |
| Created | 27 Oct 2026, 18:22:19 UTC |
| Sent | 27 Oct 2026, 18:22:23 UTC |
| Report deadline | 1 Nov 2026, 18:22:23 UTC |
| Received | 27 Oct 2026, 23:26:14 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 627736 |
| Run time | 1 hours 21 min 48 sec |
| CPU time | 1 hours 20 min 46 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 2,258.43 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 687.38 MB |
| Peak swap size | 9.72 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:24:21 (37512): wrapper (7.9.26016): starting
14:24:21 (37512): 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
14:24:23 (37512): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:24:23 (37512): 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.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835098} normal block at 0x000002ADF859EEA0, 8 bytes long.
Data: < T > 00 00 54 F8 AD 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x000002ADFA1CDFD0, 1080 bytes long.
Data: <0 4 > 30 97 00 00 CD CD CD CD 34 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002ADF85A17D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:45:16 (24208): wrapper (7.9.26016): starting
16:45:16 (24208): 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) : {1444} normal block at 0x00000203CEB272C0, 8 bytes long.
Data: < > 00 00 04 CF 03 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x00000203CEB282E0, 1080 bytes long.
Data: <hd P > 68 64 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
16:50:17 (23240): wrapper (7.9.26016): starting
16:50:17 (23240): 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) : {1444} normal block at 0x000002AD19699120, 8 bytes long.
Data: < > 00 00 B4 19 AD 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000002AD19699F60, 1080 bytes long.
Data: <X T > 58 90 00 00 CD CD CD CD 54 01 00 00 00 00 00 00
Object dump complete.
16:55:30 (38748): wrapper (7.9.26016): starting
16:55:30 (38748): 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) : {1444} normal block at 0x0000020395F15550, 8 bytes long.
Data: < > 00 00 EC 95 03 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000020395F16480, 1080 bytes long.
Data: < 5 P > A4 35 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
17:25:32 (33556): wrapper (7.9.26016): starting
17:25:32 (33556): 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) : {1444} normal block at 0x000002B4651F5750, 8 bytes long.
Data: < e > 00 00 19 65 B4 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000002B4651F60E0, 1080 bytes long.
Data: < } P > 10 7D 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
17:30:33 (5700): wrapper (7.9.26016): starting
17:30:33 (5700): 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
18:25:15 (5700): C:/Windows/system32/cmd.exe exited; CPU time 3293.984375
18:25:15 (5700): 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: 63976254 bytes.
Dumping objects ->
{1532} normal block at 0x0000015E91696420, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1521} normal block at 0x0000015E91696810, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1510} normal block at 0x0000015E916966C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1499} normal block at 0x0000015E916969D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1488} normal block at 0x0000015E916968F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1457} normal block at 0x0000015E9167EF00, 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) : {1444} normal block at 0x0000015E916974D0, 8 bytes long.
Data: < c ^ > 00 00 63 91 5E 01 00 00
{305} normal block at 0x0000015E916973E0, 8 bytes long.
Data: < i ^ > A0 7F 69 91 5E 01 00 00
{296} normal block at 0x0000015E91686310, 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 0x0000015E91696FD0, 16 bytes long.
Data: < ~i ^ > A8 7E 69 91 5E 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000015E91696C10, 16 bytes long.
Data: < ~i ^ > 80 7E 69 91 5E 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000015E91690130, 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 0x0000015E91696C60, 16 bytes long.
Data: <X~i ^ > 58 7E 69 91 5E 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000015E91696F80, 16 bytes long.
Data: <0~i ^ > 30 7E 69 91 5E 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000015E91697390, 16 bytes long.
Data: < ~i ^ > 08 7E 69 91 5E 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000015E91697660, 16 bytes long.
Data: < }i ^ > E0 7D 69 91 5E 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000015E91696570, 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 0x0000015E91696E90, 16 bytes long.
Data: < h ^ > B8 8D 68 91 5E 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000015E9168FC50, 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 0x0000015E91696F30, 16 bytes long.
Data: < h ^ > 90 8D 68 91 5E 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000015E916977A0, 16 bytes long.
Data: <h h ^ > 68 8D 68 91 5E 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000015E91697430, 16 bytes long.
Data: <@ h ^ > 40 8D 68 91 5E 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000015E916972F0, 16 bytes long.
Data: < h ^ > 18 8D 68 91 5E 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000015E91696E40, 16 bytes long.
Data: < h ^ > F0 8C 68 91 5E 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000015E916972A0, 16 bytes long.
Data: < h ^ > C8 8C 68 91 5E 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000015E9168FCB0, 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 0x0000015E91696DF0, 16 bytes long.
Data: < h ^ > A0 8C 68 91 5E 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000015E91688CA0, 320 bytes long.
Data: < mi ^ h ^ > F0 6D 69 91 5E 01 00 00 B0 FC 68 91 5E 01 00 00
{275} normal block at 0x0000015E91697250, 16 bytes long.
Data: < }i ^ > C0 7D 69 91 5E 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000015E91697480, 16 bytes long.
Data: < }i ^ > 98 7D 69 91 5E 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000015E9168F530, 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 0x0000015E91697610, 16 bytes long.
Data: <p}i ^ > 70 7D 69 91 5E 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000015E9168FA70, 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 0x0000015E91697A70, 16 bytes long.
Data: < |i ^ > B8 7C 69 91 5E 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000015E91696DA0, 16 bytes long.
Data: < |i ^ > 90 7C 69 91 5E 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000015E91697980, 16 bytes long.
Data: <h|i ^ > 68 7C 69 91 5E 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000015E91697A20, 16 bytes long.
Data: <@|i ^ > 40 7C 69 91 5E 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000015E91696EE0, 16 bytes long.
Data: < |i ^ > 18 7C 69 91 5E 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000015E91696BC0, 16 bytes long.
Data: < {i ^ > F0 7B 69 91 5E 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000015E91696D50, 16 bytes long.
Data: <`ii ^ > 60 69 69 91 5E 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000015E91696960, 40 bytes long.
Data: <Pmi ^ g ^ > 50 6D 69 91 5E 01 00 00 00 EF 67 91 5E 01 00 00
{261} normal block at 0x0000015E91697340, 16 bytes long.
Data: < {i ^ > D0 7B 69 91 5E 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000015E91697200, 16 bytes long.
Data: < {i ^ > A8 7B 69 91 5E 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000015E9168FEF0, 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 0x0000015E91697570, 16 bytes long.
Data: < {i ^ > 80 7B 69 91 5E 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000015E91697B80, 992 bytes long.
Data: <pui ^ h ^ > 70 75 69 91 5E 01 00 00 F0 FE 68 91 5E 01 00 00
{93} normal block at 0x0000015E9168F8F0, 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 0x0000015E9168EFE0, 16 bytes long.
Data: <p g ^ > 70 D3 67 91 5E 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000015E9167D370, 40 bytes long.
Data: < h ^ h ^ > E0 EF 68 91 5E 01 00 00 F0 F8 68 91 5E 01 00 00
{70} normal block at 0x0000015E9168E900, 16 bytes long.
Data: < > 80 EA EC 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000015E9168ED10, 16 bytes long.
Data: <@ > 40 E9 EC 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000015E9168E6D0, 16 bytes long.
Data: < W > F8 57 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000015E9168EF40, 16 bytes long.
Data: < W > D8 57 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000015E9168E630, 16 bytes long.
Data: <P > 50 04 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000015E9168F210, 16 bytes long.
Data: <0 > 30 04 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000015E9168E810, 16 bytes long.
Data: < > E0 02 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000015E9168F0D0, 16 bytes long.
Data: < > 10 04 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000015E9168F350, 16 bytes long.
Data: <p > 70 04 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000015E9168EB80, 16 bytes long.
Data: < > 18 C0 E7 97 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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