Task 38690296
| Name | test_791-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND8434_0 |
| Workunit | 31631456 |
| Created | 29 Oct 2026, 3:57:00 UTC |
| Sent | 29 Oct 2026, 3:57:05 UTC |
| Report deadline | 3 Nov 2026, 3:57:05 UTC |
| Received | 2 Nov 2026, 2:27:52 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 597533 |
| Run time | 1 hours 17 min 19 sec |
| CPU time | 1 hours 14 min 43 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 1,130.95 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 659.44 MB |
| Peak swap size | 5.20 GB |
| Peak disk usage | 3.92 GB |
Stderr output
<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
12:03:09 (3240): wrapper (7.9.26016): starting
12:03:09 (3240): 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
12:03:10 (3240): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:03:10 (3240): 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 'E:\Documents\BOINC\Data\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 'E:\Documents\BOINC\Data\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) : {3835111} normal block at 0x00000241B4978860, 8 bytes long.
Data: < ' A > 00 00 27 B6 41 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833960} normal block at 0x00000241B65A5B40, 1080 bytes long.
Data: < 5 8 > DC 35 00 00 CD CD CD CD 38 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000241B497FDB0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
13:08:18 (21180): wrapper (7.9.26016): starting
13:08:18 (21180): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\Documents\BOINC\Data\slots\10\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1456} normal block at 0x000002C4041147C0, 8 bytes long.
Data: < > 00 00 AD 05 C4 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000002C404116060, 1080 bytes long.
Data: < q L > C0 71 00 00 CD CD CD CD 4C 00 00 00 00 00 00 00
Object dump complete.
14:14:26 (25004): wrapper (7.9.26016): starting
14:14:26 (25004): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\Documents\BOINC\Data\slots\10\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1456} normal block at 0x000001BEBA235090, 8 bytes long.
Data: < > 00 00 1D BA BE 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001BEBA236E90, 1080 bytes long.
Data: < L > A8 0F 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
15:19:41 (21008): wrapper (7.9.26016): starting
15:19:41 (21008): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\Documents\BOINC\Data\slots\10\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1456} normal block at 0x00000208B8283E40, 8 bytes long.
Data: < ! > 00 00 21 B8 08 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x00000208B8285B90, 1080 bytes long.
Data: < U L > FC 55 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
16:24:50 (16200): wrapper (7.9.26016): starting
16:24:50 (16200): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\Documents\BOINC\Data\slots\10\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1456} normal block at 0x0000018F9C8066D0, 8 bytes long.
Data: < > 00 00 0F 9E 8F 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000018F9C8073D0, 1080 bytes long.
Data: <`\ X > 60 5C 00 00 CD CD CD CD 58 01 00 00 00 00 00 00
Object dump complete.
17:30:15 (15188): wrapper (7.9.26016): starting
17:30:15 (15188): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\Documents\BOINC\Data\slots\10\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1456} normal block at 0x000001F034FD5A60, 8 bytes long.
Data: < 4 > 00 00 F6 34 F0 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001F034FD4590, 1080 bytes long.
Data: < V D > E0 56 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
18:35:38 (4100): wrapper (7.9.26016): starting
18:35:38 (4100): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\Documents\BOINC\Data\slots\10\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1456} normal block at 0x00000278DF1C4F80, 8 bytes long.
Data: < x > 00 00 19 DF 78 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x00000278DF1BFB30, 1080 bytes long.
Data: < p d > F4 70 00 00 CD CD CD CD 64 01 00 00 00 00 00 00
Object dump complete.
20:20:02 (15912): wrapper (7.9.26016): starting
20:20:02 (15912): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\Documents\BOINC\Data\slots\10\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1456} normal block at 0x000001DCF1EC4B20, 8 bytes long.
Data: < > 00 00 E6 F1 DC 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001DCF1EBFB30, 1080 bytes long.
Data: < w X > 00 77 00 00 CD CD CD CD 58 01 00 00 00 00 00 00
Object dump complete.
20:30:05 (23228): wrapper (7.9.26016): starting
20:30:05 (23228): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\Documents\BOINC\Data\slots\10\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1456} normal block at 0x0000018DB5F14AB0, 8 bytes long.
Data: < > 00 00 EB B5 8D 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000018DB5F16AE0, 1080 bytes long.
Data: < _ H > 90 5F 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
20:46:12 (27576): wrapper (7.9.26016): starting
20:46:12 (27576): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\Documents\BOINC\Data\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
21:27:23 (27576): C:/Windows/system32/cmd.exe exited; CPU time 2436.468750
21:27:23 (27576): called boinc_finish(0)
0 bytes in 0 Free Blocks.
272 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: 45976428 bytes.
Dumping objects ->
{1544} normal block at 0x000001980D5D6F10, 64 bytes long.
Data: <PATH=E:\Document> 50 41 54 48 3D 45 3A 5C 44 6F 63 75 6D 65 6E 74
{1533} normal block at 0x000001980D5F0FE0, 48 bytes long.
Data: <HOME=E:\Document> 48 4F 4D 45 3D 45 3A 5C 44 6F 63 75 6D 65 6E 74
{1522} normal block at 0x000001980D5F1130, 48 bytes long.
Data: <TMP=E:\Documents> 54 4D 50 3D 45 3A 5C 44 6F 63 75 6D 65 6E 74 73
{1511} normal block at 0x000001980D5F0DB0, 48 bytes long.
Data: <TEMP=E:\Document> 54 45 4D 50 3D 45 3A 5C 44 6F 63 75 6D 65 6E 74
{1500} normal block at 0x000001980D5F1210, 48 bytes long.
Data: <TMPDIR=E:\Docume> 54 4D 50 44 49 52 3D 45 3A 5C 44 6F 63 75 6D 65
{1469} normal block at 0x000001980D5DCAB0, 64 bytes long.
Data: <PATH=E:\Document> 50 41 54 48 3D 45 3A 5C 44 6F 63 75 6D 65 6E 74
..\api\boinc_api.cpp(309) : {1456} normal block at 0x000001980D5F4CE0, 8 bytes long.
Data: < [ > 00 00 5B 0D 98 01 00 00
{306} normal block at 0x000001980D5F4E20, 8 bytes long.
Data: < i_ > A0 69 5F 0D 98 01 00 00
{297} normal block at 0x000001980D5DE280, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000001980D5F4830, 16 bytes long.
Data: < h_ > A8 68 5F 0D 98 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001980D5F4FB0, 16 bytes long.
Data: < h_ > 80 68 5F 0D 98 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001980D5EDC70, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000001980D5F54B0, 16 bytes long.
Data: <Xh_ > 58 68 5F 0D 98 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001980D5F4F60, 16 bytes long.
Data: <0h_ > 30 68 5F 0D 98 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001980D5F4B50, 16 bytes long.
Data: < h_ > 08 68 5F 0D 98 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001980D5F45B0, 16 bytes long.
Data: < g_ > E0 67 5F 0D 98 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001980D5F0F00, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000001980D5F5500, 16 bytes long.
Data: < n] > A8 6E 5D 0D 98 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001980D5EDEB0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000001980D5F5460, 16 bytes long.
Data: < n] > 80 6E 5D 0D 98 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001980D5F4DD0, 16 bytes long.
Data: <Xn] > 58 6E 5D 0D 98 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001980D5F47E0, 16 bytes long.
Data: <0n] > 30 6E 5D 0D 98 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001980D5F53C0, 16 bytes long.
Data: < n] > 08 6E 5D 0D 98 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001980D5F48D0, 16 bytes long.
Data: < m] > E0 6D 5D 0D 98 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001980D5F4D80, 16 bytes long.
Data: < m] > B8 6D 5D 0D 98 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001980D5EE1B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000001980D5F4C90, 16 bytes long.
Data: < m] > 90 6D 5D 0D 98 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001980D5D6D90, 320 bytes long.
Data: < L_ ^ > 90 4C 5F 0D 98 01 00 00 B0 E1 5E 0D 98 01 00 00
{276} normal block at 0x000001980D5F4B00, 16 bytes long.
Data: < g_ > C0 67 5F 0D 98 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001980D5F52D0, 16 bytes long.
Data: < g_ > 98 67 5F 0D 98 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001980D5EE6F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000001980D5F4740, 16 bytes long.
Data: <pg_ > 70 67 5F 0D 98 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001980D5EE5D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000001980D5F50F0, 16 bytes long.
Data: < f_ > B8 66 5F 0D 98 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001980D5F4D30, 16 bytes long.
Data: < f_ > 90 66 5F 0D 98 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001980D5F50A0, 16 bytes long.
Data: <hf_ > 68 66 5F 0D 98 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001980D5F4C40, 16 bytes long.
Data: <@f_ > 40 66 5F 0D 98 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001980D5F5280, 16 bytes long.
Data: < f_ > 18 66 5F 0D 98 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001980D5F5190, 16 bytes long.
Data: < e_ > F0 65 5F 0D 98 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001980D5F5410, 16 bytes long.
Data: <P _ > 50 10 5F 0D 98 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001980D5F1050, 40 bytes long.
Data: < T_ ] > 10 54 5F 0D 98 01 00 00 B0 CA 5D 0D 98 01 00 00
{262} normal block at 0x000001980D5F5230, 16 bytes long.
Data: < e_ > D0 65 5F 0D 98 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001980D5F46F0, 16 bytes long.
Data: < e_ > A8 65 5F 0D 98 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001980D5EDD90, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000001980D5F46A0, 16 bytes long.
Data: < e_ > 80 65 5F 0D 98 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001980D5F6580, 992 bytes long.
Data: < F_ ^ > A0 46 5F 0D 98 01 00 00 90 DD 5E 0D 98 01 00 00
{94} normal block at 0x000001980D5EDC10, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000001980D5E8E80, 16 bytes long.
Data: < _ > 80 12 5F 0D 98 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001980D5F1280, 40 bytes long.
Data: < ^ ^ > 80 8E 5E 0D 98 01 00 00 10 DC 5E 0D 98 01 00 00
{71} normal block at 0x000001980D5E9420, 16 bytes long.
Data: < ^ > 80 EA C4 5E F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001980D5E95B0, 16 bytes long.
Data: <@ ^ > 40 E9 C4 5E F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001980D5E9C40, 16 bytes long.
Data: < W ^ > F8 57 C1 5E F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001980D5E9BF0, 16 bytes long.
Data: < W ^ > D8 57 C1 5E F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001980D5E9BA0, 16 bytes long.
Data: <P ^ > 50 04 C1 5E F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001980D5E9B50, 16 bytes long.
Data: <0 ^ > 30 04 C1 5E F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001980D5E92E0, 16 bytes long.
Data: < ^ > E0 02 C1 5E F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001980D5E9A60, 16 bytes long.
Data: < ^ > 10 04 C1 5E F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001980D5E9830, 16 bytes long.
Data: <p ^ > 70 04 C1 5E F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001980D5E91A0, 16 bytes long.
Data: < ^ > 18 C0 BF 5E F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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